Month: November 2022

On October 3, 2013, Saito, Noriko; Egi, Jun; Nagai, Hiroshi; Ueno, Megumi; Shintani, Yusuke; Inaba, Yusuke; Adachi, Michiaki; Hirai, Yuichi; Kawazu, Takeshi; Yasutake, Koichi; Takahashi, Daiki published a patent.Synthetic Route of 386704-04-7 The title of the patent was Preparation of triazinone compounds as T-type calcium channel inhibitors. And the patent contained the following:

The title compounds [I; R1 = H, halo, each (un)substituted C1-6 alkyl, C1-6 alkoxy, C1-6 alkylthio, mono- or di(C1-6 alkyl)amino, or C3-11 cycloalkyl; L1, L2 = a single bond, (un)substituted NH or C1-6 alkylene, O, S(O), SO2; B = each (un)substituted C3-11 cycloalkylene, C3-11 cycloalkenylene, 3-11 membered heterocyclylene, C6-14 arylene, 5-10 membered heteroarylene, C1-6 alkylene, C2-6 alkenylene, or C2-6 alkynylene; A = each (un)substituted C1-6 alkyl, C2-6 alkenyl, C3-11 cycloalkyl, C3-11 cycloalkenyl, 3-11 membered heterocyclyl, C6-14 aryl, or 5-10 membered heteroaryl; L3 = (un)substituted C1-6 alkylene optionally having one of the methylene groups replaced by C(O) or C(S); D = each (un)substituted C3-11 cycloalkyl, C3-11 cycloalkenyl, 3-11 membered heterocyclyl, C6-14 aryl, or 5-10 membered heteroaryl], tautomers or pharmaceutically acceptable salts of the compounds, or solvates of the compounds, the tautomers or the pharmaceutically acceptable salts are prepared These compounds have an inhibitory activity on a T-type voltage-dependent calcium channel and are useful for the prevention, treatment, and/or improvement of diseases for which the T-type calcium channel-inhibitory activity are effective, in particular pain, more specifically neuropathic pain. Thus, amination of 1,3,5-trichlorotriazine with 1-(4-fluorophenyl)piperazine dihydrochloride in the presence of Na2CO3 in THF at room temperature for 3 days quant. gave 2,4-dichloro-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazine which underwent hydrolysis with aqueous NaOH solution at room temperature for 2 days and 2 h to give 79% 6-chloro-4-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2(1H)-one (II; X = Cl). Hydrogenation of II (X = Cl) in the presence of Pd(OH)2/activated charcoal in aqueous acetic acid solution under hydrogen atm. at room temperature for 3 days gave 99% 4-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2(1H)-one II (X = H) which underwent benzylation by 4-chlorobenzyl bromide in the presence of K2CO3 in N,N-dimethylformamide at 70° for 5 h to give 53% 1-(4-Chlorobenzyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2(1H)-one (III). III and (R)-4-[4-(4-fluorophenyl)-5-hydroxy-5,6-dihydropyridin-1(2H)-yl]-1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]-1,3,5-triazin-2(1H)-one (IV) showed IC50 of 0.17 and 0.00046 μM, resp., for inhibiting the cellular calcium influx in KSE293 cells expressing human type T calcium channel (Cav3.2). The experimental process involved the reaction of (6-(Trifluoromethyl)pyridin-3-yl)methanol(cas: 386704-04-7).Synthetic Route of 386704-04-7

The Article related to triazinone preparation t type calcium channel inhibitor, benzylphenylpiperazinyltriazinone phenylpyridinylthiophenylmethyltriazinone preparation t type calcium channel inhibitor, pain neuropathic pain treatment prevention improvement triazinone preparation and other aspects.Synthetic Route of 386704-04-7

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On June 30, 2022, Wu, Fan-lin; Hu, Yong-hao; Ji, Peng; Li, Chen-chen; He, Jian published an article.Recommanded Product: 2,3-Dihydroxypropanoic acid The title of the article was Metabonomics study on the hepatoprotective effect mechanism of polysaccharides from different processed products of Angelica sinensis on layer chickens based on UPLC-Q/TOF-MS/MS, multivariate statistical analysis and conjoint analysis. And the article contained the following:

Chicken colibacillosis is one of the most severe diseases in the poultry industry. Ceftiofur sodium (CS) is often used to treat it in clin. practice and lipopolysaccharide (LPS) accumulates in the chicken ′s body. Previous exptl. studies found that CS combined with LPS could induce liver injury in layer chickens, and polysaccharides from charred Angelica sinensis(CASP) had a better hepatoprotective effect than polysaccharides from unprocessed Angelica sinensis(UASP). However, the intervention mechanism was unclear. Thus, UPLC-Q/TOF-MS/MS-based metabonomics and transcriptomics were used in this study to clarify the hepatoprotective effect mechanism of CASP and UASP in layer chickens. Transcriptomics and ELISA were used for biol. verification of some critical mutual metabolic pathways screened with metabonomics. The comprehensive anal. results showed that in a layer chicken liver injury model built with LPS and CS, 12 critical metabolic pathways were disturbed, involving 10 important differential metabolites. The hepatoprotective effect mechanism of CASP is related to the arachidonic acid metabolism and mTOR signaling pathways, involving nine important differential metabolites. In contrast, the hepatoprotective effect mechanism of UASP is related to the arachidonic acid metabolism pathway, involving six important differential metabolites. The experimental process involved the reaction of 2,3-Dihydroxypropanoic acid(cas: 473-81-4).Recommanded Product: 2,3-Dihydroxypropanoic acid

The Article related to angelica sinensis polysaccharide hepatoprotective metabonomic multivariate statistical analysis, lps, layer chickens, liver injury, metabonomics, polysaccharides from charred angelica sinensis(casp), polysaccharides from unprocessed angelica sinensis(uasp) and other aspects.Recommanded Product: 2,3-Dihydroxypropanoic acid

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On May 12, 2022, Lee, Yoon-Suk; Kim, Kyung-Sun; Kim, Jeong-Ah; Moon, An-Na; Song, Dong-Keun; Jung, Ju-Young published a patent.Computed Properties of 62640-03-3 The title of the patent was Preparation of benzenesulfonamides linked to a fused heteroaryl as nitrogen oxide-donating PDE-5 and/or PDE-6 inhibitors. And the patent contained the following:

The title compounds I [X1 and X2 = (independently) N and C, and at least one of X1 and X2 = N; R1 = H, (un)substituted alkyl; R2 =(un)substituted alkyl; R3 = (un)substituted alkoxy; R4 = H or (un)substituted alkyl, and R5 = (un)substituted 4-membered carbocycle or heterocycle; or R4 and R5 together with the nitrogen atom to which they are attached are cyclically linked to form (un)substituted 4-membered heterocycle] or pharmaceutically acceptable salts, solvates, hydrates, prodrugs, or stereoisomers thereof, useful for treating a variety of eye diseases, were prepared For example, reacting 4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonyl chloride with azetidin-3-ol hydrochloride afforded 92% II. Said compounds I are nitrogen oxide (NO) donating PDE-5 and/or -6 inhibitor compounds that include a nitrogen oxide-containing donor substituent attached to a benzenesulfonamide group. The compounds I can provide dual functionality for increasing protein kinase G (PKG) activity by inhibiting PDE-5 and PDE-6, and/or stimulating guanylate cyclase via donation of NO from the donor substituent of the compound (data given for representative compounds I). The present disclosure also provides methods of using said compounds I and compositions for inhibiting PDE-5 and/or -6 and increasing activity of PKG. Compounds I may be used as a therapeutic agent for glaucoma, age-related macular degeneration, diabetic retinopathy, xerophthalmia, dry eye syndrome, cataracts or uveitis. Ophthalmic composition comprising the compound I was disclosed. The experimental process involved the reaction of 2-(Methylamino)ethan-1-ol hydrochloride(cas: 62640-03-3).Computed Properties of 62640-03-3

The Article related to benzenesulfonamide fused heteroaryl preparation nitrogen oxide donating pde5 pde6, eye disease glaucoma diabetic retinopathy benzenesulfonamide fused heteroaryl preparation, age related macular degeneration amd benzenesulfonamide fused heteroaryl preparation and other aspects.Computed Properties of 62640-03-3

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Alcohol – Wikipedia,
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On July 25, 1990, Gelling, Onko Jan; Meetsma, Auke; Feringa, Ben L. published an article.Related Products of 109486-06-8 The title of the article was Bimetallic oxidation catalysts. Synthesis, x-ray analysis, and reactivity of a binuclear p-hydroquinone-containing copper(II) complex. And the article contained the following:

A new pentadentate ligand I (H2L, R = 2-pyridyl) was prepared in steps from 2,6-dimethylphenol in 21% overall yield. Reaction of I with CuII(ClO4)2·6H2O gave the unexpectedly stable hydroquinone-containing [Cu2L(OH)](ClO4)2 (II). II crystallizes as triclinic, space group P1̅, a 9.399(2), b 10.469(1), c 14.612(4) Å, α 102.72(2), β 100.71(2), γ 104.60(2)°, Z = 2, R = 0.050, and Rw = 0.050. High reactivity of II was observed in catalytic oxidations of hydroquinones and α-hydroxy ketones using O2 as the oxidant. A mechanistic discussion is provided. The experimental process involved the reaction of 2,5-Dihydroxyisophthalaldehyde(cas: 109486-06-8).Related Products of 109486-06-8

The Article related to crystal structure copper dinuclear pyridylethyliminomethylhydroquinone, oxidation catalyst copper dinuclear pyridylethyliminomethylhydroquinone, copper dinuclear pyridylethyliminomethylhydroquinone complex, hydroquinone pyridylethyliminomethyl copper complex and other aspects.Related Products of 109486-06-8

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On October 31, 2021, Aalto-Korte, Kristiina; Pesonen, Maria published an article.Application In Synthesis of 2,2′,2”-(1,3,5-Triazinane-1,3,5-triyl)triethanol The title of the article was Patterns of positive patch test reactions to formaldehyde and formaldehyde releasers at the F innish I nstitute of O ccupational H ealth from 2007 to 2020. And the article contained the following:

Formaldehyde is an important contact sensitizer. Formaldehyde releasing substances induce pos. reactions in formaldehyde-allergic patients, but there are also reactions independent of formaldehyde allergy. In an earlier study, stronger formaldehyde reactions led to more pos. reactions to quaternium-15. To analyze patterns of pos. patch test reactions to formaldehyde and different formaldehyde releasers. Patch test files of 1497 patients investigated during the period Nov. 2007-August 2020 were retrospectively reviewed for pos. reactions to formaldehyde and its releasers. During the study period, almost all (≥99.3%) patients were tested with a formaldehyde dilution series and six formaldehyde releasers. Ninety-three patients tested pos. to formaldehyde; 80% of these had pos. reactions to at least one formaldehyde releaser, most often benzylhemiformal. There were only nine independent contact allergies to formaldehyde releasers. There were only two reactions to 2-bromo-2-nitropropane-1,3-diol and they occurred in formaldehyde-neg. patients. In patients with extreme (+++) reactions to formaldehyde, concomitant pos. reactions to any of the other 11 investigated formaldehyde releasers were more common than in patients with milder formaldehyde reactions. Strong formaldehyde reactions were associated with pos. reactions to formaldehyde releasers. The experimental process involved the reaction of 2,2′,2”-(1,3,5-Triazinane-1,3,5-triyl)triethanol(cas: 4719-04-4).Application In Synthesis of 2,2′,2”-(1,3,5-Triazinane-1,3,5-triyl)triethanol

The Article related to formaldehyde releaser pos patch test reaction, 2-bromo-2-nitropropane-1,3-diol, bioban cs 1135, bioban cs 1246, bioban p 1487, dmdm hydantoin, benzylhemiformal, diazolidinyl urea, hexahydro-1,3,5-tris-(2-hydroxyethyl)triazine, imidazolidinyl urea, quaternium-15 and other aspects.Application In Synthesis of 2,2′,2”-(1,3,5-Triazinane-1,3,5-triyl)triethanol

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On April 8, 2004, Yadav, Vikas; Chu, Chung K.; Rais, Reem H.; Al Safarjalani, Omar N.; Guarcello, Vincenzo; Naguib, Fardos N. M.; El Kouni, Mahmoud H. published an article.SDS of cas: 72364-46-6 The title of the article was Synthesis, Biological Activity and Molecular Modeling of 6-Benzylthioinosine Analogs as Subversive Substrates of Toxoplasma gondii Adenosine Kinase. And the article contained the following:

Toxoplasma gondii is the most common cause of secondary CNS infections in immuno-compromised persons such as AIDS patients. The major route of adenosine metabolism in T. gondii is direct phosphorylation to AMP (AMP) catalyzed by the enzyme adenosine kinase (EC 2.7.1.20). Adenosine kinase in T. gondii is significantly more active than any other purine salvage enzyme in this parasite and has been established as a potential chemotherapeutic target for the treatment of toxoplasmosis. Subversive substrates of T. gondii, but not the human, adenosine kinase are preferentially metabolized to their mono-phosphorylated forms and become selectively toxic to the parasites but not their host. 6-Benzylthioinosine (BTI) was identified as an excellent subversive substrate of T. gondii adenosine kinase. Herein, we report the synthesis of new analogs of BTI, e.g. I, as subversive substrates for T. gondii adenosine kinase. These new subversive substrates were synthesized starting from tri-benzoyl protected D-ribose. To accomplish the lead optimization process, a divergent and focused combinatorial library was synthesized using a polymer-supported trityl group at the 5′-position. The combinatorial library of 20 compounds gave several compounds more active than BTI. Structure-activity relationship studies showed that substitution at the para-position plays a crucial role. To investigate the reasons for this discrimination, substrates with different substituents at the para position were studied by mol. modeling using Monte Carlo Conformational Search followed by energy minimization of the enzyme-ligand complex. The experimental process involved the reaction of (2-Fluorophenyl)methanethiol(cas: 72364-46-6).SDS of cas: 72364-46-6

The Article related to combinatorial library benzylthioinosine substrate adenosine kinase synthesis parasiticide human, structure activity benzylthioinosine substrate adenosine kinase synthesis conformation, mol modeling benzylthioinosine nucleoside synthesis adenosine kinase substrate and other aspects.SDS of cas: 72364-46-6

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On June 13, 1979, Ong, Helen Hu; Anderson, Vernon Brian; Profitt, James Arthur published a patent.Name: (2-Fluorophenyl)methanethiol The title of the patent was Substituted 1,3-dihydrospirobenzo[c]thiophenes. And the patent contained the following:

Antidepressant spirobenzothiophenes I (R = optionally substituted Ph; R1 = H, alkyl, alkoxy, CF3, Cl, Br, F, OH, OCH2O, alkylthio; R2 = H, OH, acyloxy, optionally substituted alkyl; m, n = 1-3; m + n = 3,4) were prepared Thus, 2-BrC6H4F (in THF containing BuLi) was treated with 1-methyl-4-piperidinone to give II (R3 = OH), which was treated with PhCH2SH to give II (R3 = SCH2Ph). The latter compound was cyclized with NaH-Me2SO to give III which had a ED50 of 2.8 mg/kg i.p. in mice against tetrabenazine-induced ptosis. I also have tranquilizing activity of 0.1-50 mg/kg in the Sidman avoidance paradigim test. The experimental process involved the reaction of (2-Fluorophenyl)methanethiol(cas: 72364-46-6).Name: (2-Fluorophenyl)methanethiol

The Article related to spirobenzothiophenepiperidine preparation antidepressant, antidepressant spirobenzothiophenepiperidine, tranquilizer spirobenzothiophenepiperidine, benzothiophene spiropiperidine preparation antidepressant, piperidine spirobenzothiophene preparation antidepressant and other aspects.Name: (2-Fluorophenyl)methanethiol

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On March 15, 2011, Porcheron, Fabien; Gibert, Alexandre; Mougin, Pascal; Wender, Aurelie published an article.HPLC of Formula: 2160-93-2 The title of the article was High Throughput Screening of CO2 Solubility in Aqueous Monoamine Solutions. And the article contained the following:

Post-combustion C capture and storage technol. (CCS) is an efficient solution to reduce CO2 emissions at coal-fired power generating facilities. In CCS, an aqueous amine solution is commonly used as a solvent to selectively capture CO2 from flue gas; however, this process generates addnl. cost, mostly from the re-boiler heat duty required to release CO2 from the loaded solvent solution This work presents thermodn. results of CO2 solubility in aqueous amine solutions from a 6-reactor, high through-put screening (HTS) exptl. device. This fully automated device is designed to sequentially inject CO2 into stirred-cell reactors containing the solvent solutions The gas pressure in each reactor is monitored as a function of time; resulting transient pressure curves are transformed into CO2 absorption isotherms. First solubility of monoethanolamine, diethanolamine, and methyldiethanolamine aqueous solutions was measured at 313.15° K. Exptl. results were compared to existing literature data to validate the HTS device. Also, a comprehensive thermodn. model was used to represent CO2 solubility variations in different classes of amine structures at a wide range of thermodn. conditions. This model fitted exptl. data and calculated the cyclic capacity, a key parameter for CO2 process design. Solubility measurements were then performed on a set of 50 monoamines and cyclic capacities were extracted using the thermodn. model, to asses the potential of these mols. to capture CO2. The experimental process involved the reaction of 2,2′-(tert-Butylazanediyl)diethanol(cas: 2160-93-2).HPLC of Formula: 2160-93-2

The Article related to coal fired power generation flue gas carbon dioxide capture, aqueous amine solution solvent flue gas carbon dioxide capture, high throughput screening apparatus amine carbon dioxide solubility capture, thermodn modeling aqueous amine capture flue gas carbon dioxide and other aspects.HPLC of Formula: 2160-93-2

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On October 11, 1983, Ong, Helen H.; Anderson, Vernon B.; Profitt, James A. published a patent.HPLC of Formula: 72364-46-6 The title of the patent was Antidepressive and tranquilizing substituted 1,3-dihydrospiro(benzo[c]thiophene)s. And the patent contained the following:

Title compounds I [R = H, (un)substituted alkyl, alkenyl; R1-R3 = H, alkyl, alkoxy, F3C, Cl, Br, F, HO, alkylthio; R1R2, R2R3 = OCH2O; R4 = (un)substituted Ph; n, n1 = 1-3, n + n1 = 3 or 4] were prepared Thus 2-BrC6H4F was lithiated and treated with N-methylpiperidone II (R5R6 = O) to give II (R5 = OH, R6 = C6H4F-2). The last was treated with PhCH2SH, giving II (R5 = SCH2Ph, R6 = C6H4F-2) which was cyclized to give spiro(benzo[c]thiophene-1,4′-piperidine) III (R7 = Ph). At 50 mg/kg i.p. in mice, III (R7 = C6H4Me-4) had anticholinergic activity, giving 40% survival following i.p. injection with 2.5 mL/kg physostigmine sulfate. The experimental process involved the reaction of (2-Fluorophenyl)methanethiol(cas: 72364-46-6).HPLC of Formula: 72364-46-6

The Article related to spirobenzothiophenepiperidine preparation anticholinergic antidepressant tranquilizer, benzothiophenepiperidine spiro anticholinergic preparation, thiophenepiperidine spirobenzo anticholinergic preparation, piperidine spirobenzothiophene anticholinergic preparation and other aspects.HPLC of Formula: 72364-46-6

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Kloewer, Frederik; Lan, Yanhua; Nehrkorn, Joscha; Waldmann, Oliver; Anson, Christopher E.; Powell, Annie K. published an article in 2009, the title of the article was Modelling the Magnetic Behaviour of Square-Pyramidal CoII5 Aggregates: Tuning SMM Behaviour through Variations in the Ligand Shell.Application In Synthesis of 2,2′-(tert-Butylazanediyl)diethanol And the article contains the following content:

Three new μ4-bridged CoII5 clusters with similar core motifs were synthesized using N-tert-butyldiethanolamine (tbdeaH2) and pivalic acid (piv): [CoII5(μ4-N3)(tbdea)2(μ-piv)4(piv)(MeCN)2]·MeCN (1), [CoII5(μ4-Cl)(Cl)(tbdea)2(μ-piv)4(pivH)2] (2) and [CoII5(μ4-N3)(Cl)(tbdea)2(μ-piv)4(pivH)2] (3). Magnetic measurements were performed for all three compounds While the chloride-bridged cluster 2 does not show an out-of-phase signal, which excludes single-mol. magnet (SMM) behavior, the azide-bridged compounds 1 and 3 show out-of-phase signals as well as frequency dependence of the a.c. susceptibility, as expected for SMMs. Is a SMM with zero-field quantum tunnelling of the magnetization at 1.8 K. Compound 3 is likely a SMM with a blocking temperature well <1.8 K. The authors established a phys. model to fit the χT vs. T and M vs. B curves of the three compounds to reproduce the observed SMM trend. The anal. showed that small changes in the ligand shell modify not only the magnitude of exchange constants, but also affect the J and g matrixes in a nontrivial way. The experimental process involved the reaction of 2,2'-(tert-Butylazanediyl)diethanol(cas: 2160-93-2).Application In Synthesis of 2,2′-(tert-Butylazanediyl)diethanol

The Article related to cobalt pentanuclear cluster azido chloro bridged preparation crystal structure, smm behavior cobalt pentanuclear cluster azido chloro bridged, magnetic property cobalt pentanuclear cluster azido chloro bridged, square pyramid cluster cobalt preparation smm behavior and other aspects.Application In Synthesis of 2,2′-(tert-Butylazanediyl)diethanol

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