Tag: M.W=0-100

Yang, Yifei; Wang, Yonghai; Zuo, Aixia; Li, Chunmei; Wang, Wenyan; Jiang, Wanglin; Zhang, Xiaochen; Che, Xin; Zhang, Yang; Wu, Wentao; Cen, Xiaobo; Wang, Hongbo; Tian, Jingwei published the artcile< Synthesis, biological, and structural explorations of a series of μ-opioid receptor (MOR) agonists with high G protein signaling bias>, Synthetic Route of 627-27-0, the main research area is mu opioid receptor agonist G protein signaling pharmacokinetics antinociceptive; Analgesia; Biased agonism; Respiratory repression; μ-opioid receptor.

Biased agonism refers to the ability of compounds to drive preferred signaling pathways and avoid adverse signaling pathways in a ligand-dependent manner for some G-protein-coupled receptors. It is thought that the separation of therapeutic efficacy (e.g., analgesia) from adverse effects (e.g., respiration depression) can be achieved through the design of biased MOR agonists and one example is the recently approved MOR biased agonist oliceridine (TRV130). However, oliceridine only demonstrates modest beneficial effects as compared to other opioids in terms of therapeutic/adverse effect balance. One possibility attributable to the modest success of oliceridine is its limited bias, and as such developing MOR ligands with a more biased agonism profile could in theory further improve the beneficial effects of the ligands. Here, we rationally designed and synthesized a series of derivatives as potent highly biased MOR agonists (19a-v) through the modification and structure-activity relationship study of TRV130. This novel synthetic mol., LPM3480392 (19m), demonstrated improved in vitro biased agonism (EC50 = 0.35 nM, Emax = 91.4%) with no measured β-arrestin recruitment (EC50 > 30000 nM, Emax = 1.6%), good brain penetration (B/P ratio = 4.61, 0.25 h post-IV dosing 2.0 mg/kg), a favorable pharmacokinetic profile (distribution volume = 10766 mL/kg, t1/2 = 1.9 h) and produced potent antinociceptive effect with reduced respiratory suppression (sO2(%) = 92.17, 0.32 mg/kg, SC) as compared to TRV130. LPM3480392 has completed preclin. studies and is currently under clin. development (CTR20210370) as an analgesic for the treatment of moderate to severe pain.

European Journal of Medicinal Chemistry published new progress about Affinity (binding). 627-27-0 belongs to class alcohols-buliding-blocks, and the molecular formula is C4H8O, Synthetic Route of 627-27-0.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Sarkar, Nabin; Sahoo, Rajata Kumar; Patro, A. Ganesh; Nembenna, Sharanappa published the artcile< Aluminum-catalyzed selective hydroboration of carbonyls and dehydrocoupling of alcohols, phenols, amines, thiol, selenol, silanols with HBpin>, Recommanded Product: But-3-en-1-ol, the main research area is borate ester borylamine preparation hydroboration dehydrocoupling pinacolborane aluminum catalyst; biguanidine aluminum dihydride complex preparation hydroboration dehydrocoupling catalyst.

A popular N,N’-chelated NacNac analog, i.e., conjugated bis-guanidinate (CBG) stabilized aluminum dihydride LAlH2 [1; L = ArNC(ArNH):NC:(NHAr)NAr, where Ar = 2,6-Et2-C6H3], demonstrates excellent catalytic hydroboration of a wide array of carbonyls with pinacolborane (HBpin) under neat conditions with good tolerance of reducible functional groups such as alkyl, alkene, halide, nitrile, nitro, ester, amide, and heteroaryl. In addition, we investigated complex 1 catalyzed cross-dehydrocoupling (CDC) of alcs., phenols, amines, thiol, selenol, and silanols with HBpin under mild reaction conditions. Furthermore, several control experiments have been performed to understand the mechanisms in hydroboration and CDC reactions. All corresponding catalytic intermediates have been identified and characterized by 1H and 13C{1H} NMR spectroscopic methods. In contrast to several reports on metal-catalyzed hydroboration of carbonyls, this is the second report for the mol. aluminum catalyzed CDC of organic substrates with HBpin.

Polyhedron published new progress about Alcohols Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 627-27-0 belongs to class alcohols-buliding-blocks, and the molecular formula is C4H8O, Recommanded Product: But-3-en-1-ol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Karpina, V. R.; Kovalenko, S. S.; Kovalenko, S. M.; Zaremba, O. V.; Silin, O. V.; Langer, T. published the artcile< The synthesis and biological assessment of [[1,2,4]triazolo[4,3-a]pyridine-3-yl]acetamides with an 1,2,4-oxadiazole cycle in positions 6, 7 and 8>, Computed Properties of 29335-36-2, the main research area is oxadiazolyl triazolopyridyl acetamide preparation antibacterial antifungal cytochrome HT2C inhibition.

A novel method was developed for the synthesis of 32 analogs of 2-[(1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-yl]acetamides and biol. assessment was conducted. A convenient scheme for the synthesis of the title compounds started from com. available 2-chloropyridine-3-/4-/5-carboxylic acids with amidoximes to form the corresponding 2-chloro-[1,2,4-oxadiazol-5-yl]pyridines then followed by the hydrazinolysis with an excess of hydrazine hydrate. The process continued via the ester formation with the pyridine ring closure, followed by amide formation. A series of new 2-[6/7/8-(1,2,4-oxadiazol-5-yl)[1,2,4]triazolo[4,3-a]pyridine-3-yl]acetamides were obtained in good yields and their structures were proved by the method of 1H NMR spectroscopy. The prognosis and study of their pharmacol. activity were also conducted. The synthetic approach of obtaining the representatives of 2-[(1,2,4-oxadiazol-5-yl)-[1,2,4] triazolo[4,3-a]pyridine-3-yl]acetamides previously unknown can be used as an applicable method for the synthesis of diverse functionalized [1,2,4]triazolo[4,3-a]pyridine derivatives

Zhurnal Organichnoi ta Farmatsevtichnoi Khimii published new progress about 5-HT2C receptors Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 29335-36-2 belongs to class alcohols-buliding-blocks, and the molecular formula is C3H8N2O, Computed Properties of 29335-36-2.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Bedenko, Stanislav P.; Dement’ev, Konstantin I.; Tret’yakov, Valentin F. published the artcile< Deactivation of Zeolite Catalysts in the Prins Reaction between Propene and Formaldehyde in the Liquid Phase>, SDS of cas: 627-27-0, the main research area is propene formaldehyde zeolite catalyst prins reaction liquid phase.

The Prins reaction between propene and formaldehyde was studied over H-BEA, H-FAU, H-MFI and H-MOR zeolites at 150°C in liquid phase. It was found that the H-BEA sample is the most active and selective toward buta-1,3-diene; the H-MFI is a potential catalyst for 3-buten-1-ol synthesis, while H-FAU can be used for 4-methyl-1,3-dioxane production It had been confirmed that zeolite textural and acidic properties influence catalyst behavior: the acidic properties influence sample activity, while product distribution is controlled by pore volume and effective pore diameter The sample’s deactivation process had been studied and the kinetic model of deactivation was proposed. It was shown that the deactivation rate for the H-MFI catalyst is four times greater than for the H-BEA catalyst, probably because its strong/weak acid sites ratio is much more high than for the H-BEA.

Catalysts published new progress about Catalysts. 627-27-0 belongs to class alcohols-buliding-blocks, and the molecular formula is C4H8O, SDS of cas: 627-27-0.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Wang, Huamin; Bellotti, Peter; Zhang, Xiaolong; Paulisch, Tiffany O.; Glorius, Frank published the artcile< A base-controlled switch of SO2 reincorporation in photocatalyzed radical difunctionalization of alkenes>, Application of C4H8O, the main research area is trifluoromethylated sulfonyl ketone preparation chemoselective photochem; alkene radical difunctionalization photocatalyst.

Control of selectivity is a pivotal challenge in radical chem. owing to the high reactivity and instability of radical species. Herein, a switchable, base-controlled strategy toward the reincorporation/release of SO2 in photocatalyzed radical difunctionalization of alkenes has been described. By this chemodivergent strategy, a variety of valuable, otherwise difficult-to-access γ-trifluoromethylated ketones and trifluoromethylated sulfonyl ketones can be selectively furnished from the same starting materials. This method features high chemoselectivity, a broad substrate scope, excellent functional group tolerance, and facile scale-up and was applied in a one-pot synthetic procedure. Evaluation of the reaction conditions and mechanistic studies indicate that the choice of base can invert the chemoselectivity of the reaction, demonstrating control over a challenging radical selectivity pattern.

Chem published new progress about Alkenes Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 627-27-0 belongs to class alcohols-buliding-blocks, and the molecular formula is C4H8O, Application of C4H8O.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Bunno, Youka; Tsukimawashi, Yuta; Kojima, Masahiro; Yoshino, Tatsuhiko; Matsunaga, Shigeki published the artcile< Metal-Containing Schiff Base/Sulfoxide Ligands for Pd(II)-Catalyzed Asymmetric Allylic C-H Aminations>, Computed Properties of 627-27-0, the main research area is chiral Schiff base sulfoxide ligand preparation; alkenyl oxazolidinone enantioselective preparation; asym allylic CH amination palladium catalyst Schiff base sulfoxide.

Metal-containing Schiff base/sulfoxides was developed as chiral ligands e.g., I, for Pd(II)-catalyzed asym. intramol. allylic C-H amination reactions. The use of metal-containing Schiff base ligands allowed tuning the selectivity and reactivity of Pd(II)-catalyst, whereby a Schiff base-Cu(II)/sulfoxide ligand in combination with Pd(OAc)2 showed best performance. Both internal and terminal alkenes were applicable and the C-H amination products were obtained in up to 91:9 er.

ACS Catalysis published new progress about Allylic amination. 627-27-0 belongs to class alcohols-buliding-blocks, and the molecular formula is C4H8O, Computed Properties of 627-27-0.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Liu, Zishan; Asghar, Azeem; Hou, Changjun; Ali, Imtiaz; Naqvi, Salman Raza; Wang, Ning; Zhu, Hui; Mehmood, Muhammad Aamer; Liu, Chen-Guang published the artcile< Co-pyrolysis of the Chinese liquor industry waste and bamboo waste, elucidation of the pyrolysis reaction chemistry, and TG-FTIR-MS based study of the evolved gases>, Reference of 627-27-0, the main research area is liquor industry bamboo waste pyrolysis thermogravimetry mass Spectrometry.

Chinese liquor and bamboo are the leading industrial enterprises in China which produce huge amounts of residual biomass. This study was aimed at assessing the potential of both residual biomasses to produce clean energy and biochems. via pyrolysis and co-pyrolysis. Both biomasses were pyrolyzed either alone (1:0 and 0:1) or co-pyrolyzed in three combinations (1:1, 1:3, and 3:1) using a thermogravimetric analyzer at five heating rates including 10°C min-1, 20°C min-1, 30°C min-1, 40°C min-1, and 50°C min-1. The data were interpreted through isoconversional models namely Ozawa-Wall-Flynn (OWF), Kissenger-Akahira-Sunose (KAS), and Friedman for the elucidation of pyrolysis reaction. It was shown to be a three-stage pyrolysis where major pyrolysis occurred during stage-II, between conversions (0.2-0.7), where 59-60% of the biomass was transformed to bioproducts within the temperature range of 180°C to 450°C, where 17-20% of the biomass was left as char. The average activation energies for the bamboo waste (labeled as B) and the liquor industry waste (labeled as D) were shown to be 151-160 kJ mol-1 for B:D = 1:0, 192-205 kJ mol-1 for B:D = 1:1, 193-202 kJ mol-1 for B:D = 1:3, 178-188 kJ mol-1 for B:D = 3:1, and 194-201 kJ mol-1 for B:D = 1:3 computed through OWF, KAS, and Friedman methods (R2 = 0.98-0.99). The values of activation energy, calorific values, Gibb’s free energy, enthalpy change, and pre-exponential factors indicated that the pyrolysis of bamboo waste was energy efficient when compared to the liquor industry waste, however, mixing both biomasses in the ratio of 3:1 was shown to be the most suitable co-pyrolysis scenario. The FTIR analyses of the evolved gases showed that these gases were dominated by the functional groups related to alcs., aromatic hydrocarbons, alkynes, aldehydes, halides, ketones, esters, phenols, and amines. While TG-FTIR-GC-MS analyses confirmed the presence of aforementioned compounds in the evolved gases indicating the substantial potential of both biomasses to produce syngas and biochems. In conclusion, the wastes from bamboo forests and liquor industry could be renewable and carbon neutral feedstocks to produce bioenergy and biochems. via pyrolysis and co-pyrolysis.

Fuel published new progress about Bamboo (waste). 627-27-0 belongs to class alcohols-buliding-blocks, and the molecular formula is C4H8O, Reference of 627-27-0.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Kim, Ji-Hyun; Kim, Moo Song; Kim, Hyung Jun; Kim, Jong-Ryang; Ahn, Cheol-Hee published the artcile< Potentially biobased copolyesters comprising 1,3-butanediol, 1,4-cyclohexanedimethanol and dimethyl terephthalate and effect of different catalysts on polymerization behavior>, HPLC of Formula: 627-27-0, the main research area is butanediol cyclohexane dimethanol dimethylene terephthalate polyester thermomech property.

A new series of potentially biobased copolyesters, poly(1,3-butylene 1,4-cyclohexylenedimethylene terephthalate) (P13BCT) based on 1,3-butanediol (1,3-BD) with 1,4-cyclohexane dimethanol (CHDM) was synthesized. Dibutyltin oxide (DBTO) and titanium(IV) butoxide (TBT) catalysts were employed, and the resulting copolymers were analyzed to evaluate the efficacy of each catalyst on the copolymerization DBTO produced low mol. weight oligomers with Mn ranging from 2,000 to 2,500, whereas TBT produced high mol. weight copolymer Mn ranging from 8,700-21,900. GC-MS anal. was performed to identify the byproducts during the transesterification process, and side reactions such as dehydration were observed, which were in good agreement with previous results showing the same byproduct. The correlation spectroscopy (COSY), heteronuclear single-quantum correlation spectroscopy (HSQC), 1H and 13C NMR analyses revealed that the chain end of P13BCT_Sn was primarily composed of the vinyl end group rather than the hydroxyl group, which was a major contributor to the formation of low mol. weight polymers. The d. of P13BCT slightly increased with the addition of 1,3-BD. The Tg of P13BCT decreased with 1,3-BD contents from 74°C – 51°C due to the enhanced flexibility of the main chain. The thermal stability of the copolyesters was determined using TGA in a nitrogen atm. The copolyesters were stable up to 330-360°C, and the decomposition temperature decreased as the 1,3-BD content increased. Yield strength increased from 39.4 MPa to 43.6 MPa as 1,3-BD content increased; however, Young’s modulus and yield strength difference was not statistically significant.

Macromolecular Research published new progress about Crystallization enthalpy. 627-27-0 belongs to class alcohols-buliding-blocks, and the molecular formula is C4H8O, HPLC of Formula: 627-27-0.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Song, Liyan; Lai, Yunrong; Li, Hongzuo; Ding, Jipeng; Yao, Hongliang; Su, Qian; Huang, Binbin; Ouyang, Ming-An; Tong, Rongbiao published the artcile< Environmentally Benign and User-Friendly In Situ Generation of Nitrile Imines from Hydrazones for 1,3-Dipolar Cycloaddition>, Computed Properties of 627-27-0, the main research area is aldehyde hydrazone alkene three component dipolar cycloaddition; pyrazoline regioselective preparation green chem.

The first green and user-friendly protocol for in situ generation of nitrile imines from Oxone-KBr oxidation of hydrazones and base-promoted dehydrobromination was reported. The nitrile imines were demonstrated for 1,3-dipolar cycloaddition with various dipolarophiles, including alkene and alkyne groups.

Journal of Organic Chemistry published new progress about Aldehydes Role: RCT (Reactant), RACT (Reactant or Reagent). 627-27-0 belongs to class alcohols-buliding-blocks, and the molecular formula is C4H8O, Computed Properties of 627-27-0.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Das, Joydip published the artcile< Identification of alcohol-binding site(s) in proteins using diazirine-based photoaffinity labeling and mass spectrometry>, HPLC of Formula: 25055-82-7, the main research area is protein alc binding site diazirine photoaffinity labeling mass spectrometry; alcoholism; azialcohol; diazirine; mass spectrometry; photoaffinity labeling.

Defining mol. targets of alc. and understanding the mol. mechanism of alc. actions are necessary to develop effective therapeutics for alc. use disorder (AUD). Here, we describe a detailed protocol for identifying alc.-binding site(s) in proteins using diazirine-based azialc. as photoaffinity labeling agents. Upon photoirradiation, azialc. photoincorporates into alc.-binding proteins. The stoichiometry and site of azialc. photoincorporation can be determined using high-resolution mass spectrometry. Identification of the alc.-binding residues in protein followed by measuring the biol. significance of these residues in regulating alc. action are important steps in characterizing the mol. targets of alc.

Chemical Biology & Drug Design published new progress about Algorithm (SEQUEST). 25055-82-7 belongs to class alcohols-buliding-blocks, and the molecular formula is C4H8N2O, HPLC of Formula: 25055-82-7.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts