Tag: 0-100

In 2019,Journal of Medicinal Chemistry included an article by Wild, Christopher T.; Miszkiel, Joanna M.; Wold, Eric A.; Soto, Claudia A.; Ding, Chunyong; Hartley, Rachel M.; White, Mark A.; Anastasio, Noelle C.; Cunningham, Kathryn A.; Zhou, Jia. Synthetic Route of C3H9NO2. The article was titled 《Design, Synthesis, and Characterization of 4-Undecylpiperidine-2-carboxamides as Positive Allosteric Modulators of the Serotonin (5-HT) 5-HT2C Receptor》. The information in the text is summarized as follows:

Cis-alkylpiperidinecarboxamides such as I were prepared as pos. allosteric modulators of the 5-HT2c receptor for potential use in the prevention of cocaine addiction relapse. I potentiated 5-HT-evoked intracellular calcium release in cells stably expressing the human 5-HT2c receptor but not cells expressing human 5-HT2a receptors. Mol. docking calculations of I at the 5-HT2c receptor identified a topog. distinct allosteric site. The pharmacokinetics of I upon i.v. administration, its toxicity, and its selectivity for the 5-HT2c receptor over a variety of other competing receptors was determined I modulated 5-HT2c receptor-mediated spontaneous ambulation, partially substituted for the training dose of the 5-HT2c receptor agonist WAY163909, synergized with a low dose of WAY163909 to substitute fully for the stimulus effects of WAY163909, and attenuated relapse vulnerability as assessed in a rodent self-administration model, indicating its therapeutic promise for cocaine use disorder. The results came from multiple reactions, including the reaction of 2-Aminopropane-1,3-diol(cas: 534-03-2Synthetic Route of C3H9NO2)

2-Aminopropane-1,3-diol(cas: 534-03-2) belongs to anime. Large quantities of aliphatic amines are made synthetically. The most widely used industrial method is the reaction of alcohols with ammonia at a high temperature, catalyzed by metals or metal oxide catalysts (e.g., nickel or copper). Mixtures of primary, secondary, and tertiary amines are thereby produced.Synthetic Route of C3H9NO2

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In 2022,Fan, Kaiming; Liu, Yanling; Wang, Xiaoping; Cheng, Peng; Xia, Shengji published an article in Separation and Purification Technology. The title of the article was 《Comparison of polyamide, polyesteramide and polyester nanofiltration membranes: properties and separation performance》.Electric Literature of C3H9NO2 The author mentioned the following in the article:

In this study, three different kinds of nanofiltration membranes with polyamide (PA), polyesteramide (PEA), and polyester (PE) active layers were resp. synthesized by using piperazine, serinol and meso-erythritol as the aqueous monomers for interfacial polymerization The three types of membranes achieved comparable rejections for the reference organic solute (i.e., xylose) via optimization of preparation conditions, based on which the characteristics of different active layers were comprehensively investigated. Results showed that the PA, PEA and PE membranes exhibited distinct surface morphologies. The special surface structures of PEA membranes and the larger active layer thickness of PE membranes resulted in their lower water permeance compared to PA membranes. Different than PA active layers, the absence of pos. charged regions in the PEA and PA active layers was beneficial for the passage of divalent cations and the rejection of NaCl. Moreover, despite the comparable mean pore size, PA membranes exhibited a more uniform membrane pore size resulting in a higher rejection of organic matters in natural water than PEA and PE membranes. This study presented the differences in physicochem. properties and separation performance among the different membrane active layers, which could provide references for the rational selection of nanofiltration membrane types during application. In the experiment, the researchers used 2-Aminopropane-1,3-diol(cas: 534-03-2Electric Literature of C3H9NO2)

2-Aminopropane-1,3-diol(cas: 534-03-2) belongs to anime. Large quantities of aliphatic amines are made synthetically. The most widely used industrial method is the reaction of alcohols with ammonia at a high temperature, catalyzed by metals or metal oxide catalysts (e.g., nickel or copper). Mixtures of primary, secondary, and tertiary amines are thereby produced.Electric Literature of C3H9NO2

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In 2022,Mansour, Ritam; Mukherjee, Saikat; Pinheiro, Max Jr.; Noble, Jennifer A.; Jouvet, Christophe; Barbatti, Mario published an article in Physical Chemistry Chemical Physics. The title of the article was 《Pre-Dewar structure modulates protonated azaindole photodynamics》.Application In Synthesis of Oxetan-3-ol The author mentioned the following in the article:

Recent exptl. work revealed that the lifetime of the S3 state of protonated 7-azaindole is about ten times longer than that of protonated 6-azaindole. We simulated the nonradiative decay pathways of these mols. using trajectory surface hopping dynamics after photoexcitation into S3 to elucidate the reason for this difference. Both isomers mainly follow a common ππ* relaxation pathway involving multiple state crossings while coming down from S3 to S1 in the subpicosecond time scale. However, the simulations reveal that the excited-state topogs. are such that while the 6-isomer can easily access the region of nonadiabatic transitions, the internal conversion of the 7-isomer is delayed by a pre-Dewar bond formation with a boat conformation.Oxetan-3-ol(cas: 7748-36-9Application In Synthesis of Oxetan-3-ol) was used in this study.

Oxetan-3-ol(cas: 7748-36-9) is used as a reagent in the synthesis of 5-fluoro-4,6-dialkoxypyrimidine GPR119 agonists. It is also used as a reagent in the synthesis of cyclic sulfone hydroxyethylamines as potent and selective β-site APP-cleaving enzyme 1 (BACE1) inhibitors.Application In Synthesis of Oxetan-3-ol

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《Core-crosslinked nanomicelles based on crosslinkable prodrug and surfactants for reduction responsive delivery of camptothecin and improved anticancer efficacy》 was published in European Journal of Pharmaceutical Sciences in 2020. These research results belong to He, Wei; Du, Yawei; Zhou, Wenya; Wang, Tao; Li, Man; Li, Xinsong. Recommanded Product: 2-Aminopropane-1,3-diol The article mentions the following:

As an important DNA topoisomerase I inhibitor in oncotherapy, camptothecin (CPT) with traditional formulation only shows a limited clin. application mainly because of its poor solubility In this study, a novel redox responsive nanoscaled delivery system was developed to overcome the inherent defect of CPT. Firstly, a CPT prodrug (CPT-LA) and two crosslinkable surfactants (SO-LA and MPEG-LA) was synthesized, all of which contained the same lipoic acid (LA) structure. In the preparation, highly core-crosslinked structure was formed by adding a thiol crosslinker, which can induce LA ring opening polymerization and disulfide crosslinking. The resulting CPT-LA core-crosslinked nanomicelles (CPT-LA CNM) were formulated with a highly crosslinked core and a PEG hydrophilic shell. Dynamic light scattering (DLS) characterization indicated that CPT-LA CNM possessed a narrow size distribution (184.6 ± 3.6 nm) and neg. charged zeta potential (-3.5 ± 1.2 mV). The storage and physiol. stabilities showed that the size distribution of CPT-LA CNM was relatively stable in both conditions which were neutral PBS at 4°C (1 wk period) and PBS containing 10% serum at 37°C (24 h period). Moreover, the effective CPT release behavior of CPT-LA CNM was confirmed in the reducing circumstances containing dithiothreitol (DTT). Under confocal laser scanning microscopy (CLSM), CPT-LA CNM demonstrated a rapid cellular uptake behavior against cancer cells when compared to CPT suspension. Finally, the enhanced anticancer efficacy of CPT-LA CNM was also detected by in vitro cytotoxicity and cell apoptosis assay. In summary, the core-crosslinked CPT-LA CNM could be a promising CPT delivery system because of high stability, effectively controlled release as well as improved anticancer activity. In addition to this study using 2-Aminopropane-1,3-diol, there are many other studies that have used 2-Aminopropane-1,3-diol(cas: 534-03-2Recommanded Product: 2-Aminopropane-1,3-diol) was used in this study.

2-Aminopropane-1,3-diol(cas: 534-03-2) belongs to anime. Reaction with nitrous acid (HNO2), which functions as an acylating agent that is a source of the nitrosyl group (―NO), converts aliphatic primary amines to nitrogen and mixtures of alkenes and alcohols corresponding to the alkyl group in a complex process. This reaction has been used for analytical determination of primary amino groups in a procedure known as the Van Slyke method.Recommanded Product: 2-Aminopropane-1,3-diol

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《Intramolecular hydrogen bond stabilized conformation of 3-aminopropanol》 was published in Journal of Molecular Spectroscopy in 2020. These research results belong to Khalil, Andrew S.; Lavrich, Richard J.. HPLC of Formula: 156-87-6 The article mentions the following:

Rotational spectra of the most abundant, three 13C, and the 15N isotopologues of 3-aminopropanol have been recorded in natural abundance using a Fourier-transform microwave spectrometer. For the most abundant isotopologue, 54 hyperfine components from the thirteen a- and b-type transitions measured were fit to the quadupole coupling constants, χaa = -2.551(1) MHz, χbb = 1.248(1) MHz. Rotational and centrifugal distortion constants determined from fits of the resulting unsplit line centers to the Watson A-reduction Hamiltonian are A = 7405.303(1) MHz, B = 3868.1925(5) MHz, C = 2829.2615(7) MHz, ΔJ = 1.90(3) kHz, ΔJK = -0.5(3) kHz, ΔK = 2.7(3) kHz, δJ = 0.5(4) kHz, and dK = 4.0(4) kHz. Five to six transitions were measured for each of the 13C and 15N isotopologues and rotational constants were determined by fixing the distortion constants to the values found for the normal isotope. The five sets of moments of inertia were used to determine the 3-aminopropanol substitution structure as well to perform a least-squares fit. The heavy atom coordinates determined from these two methods are in good agreement. The newly measured moments of inertia of the heavy atoms has allowed for a refinement of the structure determined by an earlier microwave study. In addition to this study using 3-Aminopropan-1-ol, there are many other studies that have used 3-Aminopropan-1-ol(cas: 156-87-6HPLC of Formula: 156-87-6) was used in this study.

3-Aminopropan-1-ol(cas: 156-87-6) belongs to anime. Left-handed and right-handed forms (mirror-image configurations, known as optical isomers or enantiomers) are possible when all the substituents on the central nitrogen atom are different (i.e., the nitrogen is chiral). With amines, there is extremely rapid inversion in which the two configurations are interconverted.HPLC of Formula: 156-87-6

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Luo, Min; Groaz, Elisabetta; Froeyen, Mathy; Pezo, Valerie; Jaziri, Faten; Leonczak, Piotr; Schepers, Guy; Rozenski, Jef; Marliere, Philippe; Herdewijn, Piet published an article in Journal of the American Chemical Society. The title of the article was 《Invading Escherichia coli genetics with a xenobiotic nucleic acid carrying an acyclic phosphonate backbone (ZNA)》.Quality Control of (R)-Oxiran-2-ylmethanol The author mentioned the following in the article:

A synthetic orthogonal polymer embracing a chiral acyclic-phosphonate backbone [(S)-ZNA] is presented that uniquely adds to the emerging family of xenobiotic nucleic acids (XNAs). (S)-ZNA consists of reiterating six-atom structural units and can be accessed in few synthetic steps from readily available phophonomethylglycerol nucleoside (PMGN) precursors. Comparative thermal stability experiments conducted on homo- and heteroduplexes made of (S)-ZNA are described that evince its high self-hybridization efficiency in contrast to poor binding of natural complements. Although preliminary and not conclusive, CD data and dynamic modeling computations provide support to a left-handed geometry of double-stranded (S)-ZNA. Nonetheless, PMGN diphosphate monomers were recognized as substrates by Escherichia coli polymerase I as well as being imported into E. coli cells equipped with an algal nucleotide transporter. A further investigation into the in vivo propagation of (S)-ZNA culminated with the demonstration of the first synthetic nucleic acid with an acyclic backbone that can be transliterated to DNA by the E. coli cellular machinery. In the experiment, the researchers used (R)-Oxiran-2-ylmethanol(cas: 57044-25-4Quality Control of (R)-Oxiran-2-ylmethanol)

(R)-Oxiran-2-ylmethanol(cas: 57044-25-4) is a chiral building block used to construct an epoxyvinyl iodide intermediate in a synthesis of a furanocembrane, a marine natural product.Quality Control of (R)-Oxiran-2-ylmethanol

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Safety of (R)-Oxiran-2-ylmethanolOn March 12, 2020, Gonzalez-Gil, Ines; Zian, Debora; Vazquez-Villa, Henar; Hernandez-Torres, Gloria; Martinez, R. Fernando; Khiar-Fernandez, Nora; Rivera, Richard; Kihara, Yasuyuki; Devesa, Isabel; Mathivanan, Sakthikumar; del Valle, Cristina Rosell; Zambrana-Infantes, Emma; Puigdomenech, Maria; Cincilla, Giovanni; Sanchez-Martinez, Melchor; Rodriguez de Fonseca, Fernando; Ferrer-Montiel, Antonio V.; Chun, Jerold; Lopez-Vales, Ruben; Lopez-Rodriguez, Maria L.; Ortega-Gutierrez, Silvia published an article in Journal of Medicinal Chemistry. The article was 《A Novel Agonist of the Type 1 Lysophosphatidic Acid Receptor (LPA1), UCM-05194, Shows Efficacy in Neuropathic Pain Amelioration》. The article mentions the following:

Neuropathic pain (NP) is a complex chronic pain state with a prevalence of almost 10% in the general population. Pharmacol. options for NP are limited and slightly effective, so there is a need of developing more efficacious NP attenuating drugs. Activation of the type 1 lysophosphatidic acid (LPA1) receptor is a crucial factor in the initiation of NP. Hence, it is conceivable that a functional antagonism strategy could lead to NP mitigation. Here we describe a new series of LPA1 agonists among which derivative (S)-17 (UCM-05194) stands out as the most potent and selective LPA1 receptor agonist described so far (Emax=118%, EC50=0.24μM, KD=19.6 nM; inactive at autotaxin and LPA2-6 receptors). This compound induces characteristic LPA1-mediated cellular effects and prompts the internalization of the receptor leading to its functional inactivation in primary sensory neurons and to an efficacious attenuation of the pain perception in an in vivo model of NP. In the experiment, the researchers used (R)-Oxiran-2-ylmethanol(cas: 57044-25-4Safety of (R)-Oxiran-2-ylmethanol)

(R)-Oxiran-2-ylmethanol(cas: 57044-25-4) is a chiral building block used to construct an epoxyvinyl iodide intermediate in a synthesis of a furanocembrane, a marine natural product.Safety of (R)-Oxiran-2-ylmethanol

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《Transition metal-free, base mediated one-pot approach for the construction of the benzo[b][1,4,5]oxathiazepine 1-oxide core》 was published in Organic & Biomolecular Chemistry in 2022. These research results belong to Banerjee, Arpita; Panda, Gautam. Computed Properties of C3H6O2 The article mentions the following:

Herein, a base mediated, transition metal-free intermol. epoxide ring opening by the nucleophilic attack of ortho-halogenated NH-sulfoximine followed by intramol. aromatic nucleophilic substitution (SNAr) for the synthesis of separable diastereomers of selected benzo[b][1,4,5]oxathiazepine 1-oxides I [R1 = Me, Et, cyclopentyl, etc.; R2 = CH:CH2, Ph, 2-naphthyl, etc.] was developed. Both C-N and C-O bonds were formed simultaneously in a single step. This strategy had a good substrate scope and required simple reaction conditions (room temperature) and cost-effective reagents, and showed good applicability for accessing sulfoximine analogs of benzoxathiazepine 1-oxide like bioactive skeletons. The absolute configurations of the separable major isomer I [R1 = n-Pr; R2 = CH2OCH2C6H5; stereo = R,R] minor isomer I [R1 = n-Pr; R2 = CH2OCH2C6H5; stereo = R,S] and single isomer II were confirmed by 2D NMR. On the other hand, the relative configuration of compound I [R1 = i-Pr; R2 = 4-ClC6H4] was assigned by 2D NMR along with X-ray crystal data anal. The results came from multiple reactions, including the reaction of (R)-Oxiran-2-ylmethanol(cas: 57044-25-4Computed Properties of C3H6O2)

(R)-Oxiran-2-ylmethanol(cas: 57044-25-4) is a chiral building block used to construct an epoxyvinyl iodide intermediate in a synthesis of a furanocembrane, a marine natural product.Computed Properties of C3H6O2

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《Isoquinolinequinone N-oxides as anticancer agents effective against drug resistant cell lines》 was written by Kruschel, Ryan D.; Buzid, Alyah; Khandavilli, Udaya B. Rao; Lawrence, Simon E.; Glennon, Jeremy D.; McCarthy, Florence O.. Reference of 4-Aminobutan-1-ol And the article was included in Organic & Biomolecular Chemistry in 2020. The article conveys some information:

The structured development of isoquinolinequinones I [R = Me, (CH2)4OH, Bn; RR1 = (CH2)2OCH(Et)CH2; R2 = H, Br] and their N-oxides II anticancer framework which exhibited growth inhibition in the nM range across melanoma, ovarian and leukemia cancer cell lines was reported. A new lead compound Me 6-(benzylamino)-1,3-dimethyl-2-oxido-5,8-dioxo-isoquinolin-2-ium-4-carboxylate exhibited nM GI50 values against 31/57 human tumor cell lines screened as part of the NCI60 panel and showed activity against doxorubicin resistant tumor cell lines. An electrochem. study highlighted a correlation between electropositivity of the isoquinolinequinone N-oxide framework and cytotoxicity. Adduct binding to sulfur based biol. nucleophiles glutathione and cysteine was observed in vitro. This new framework possessed significant anticancer potential.4-Aminobutan-1-ol(cas: 13325-10-5Reference of 4-Aminobutan-1-ol) was used in this study.

4-Aminobutan-1-ol(cas: 13325-10-5) is used in the synthesis of NSAIDs with anti-inflammatory properties. Also used in the synthesis of polyamine transport ligands with specificity against human cancers allowing easy access to specific cancer cells.Reference of 4-Aminobutan-1-ol

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Formula: C3H6O2In 2021 ,《Synthesis, biological evaluation, and docking studies of novel pyrrolo[2,3-b]pyridine derivatives as both ectonucleotide pyrophosphatase/phosphodiesterase inhibitors and antiproliferative agents》 appeared in European Journal of Medicinal Chemistry. The author of the article were Ullah, Saif; El-Gamal, Mohammed I.; El-Gamal, Randa; Pelletier, Julie; Sevigny, Jean; Shehata, Mahmoud K.; Anbar, Hanan S.; Iqbal, Jamshed. The article conveys some information:

A series of sulfonylurea derivatives possessing pyrrolo[2,3-b]pyridine core I (R = H, 5-Br, 4-Cl, 4-NMe2; Ar = Ph, 3-O2NC6H4, 2-naphthyl, etc.) were synthesized and investigated as inhibitors of NPP1 and NPP3 isoenzymes that are over-expressed in cancer and diabetes. The enzymic evaluation highlighted compound I (R = H; Ar = Ph) as selective NPP1 inhibitor, however, compound I (R = H; Ar = 3-O2NC6H4) was observed as the most potent inhibitor of NPP1 with an IC50 value of 0.80 +/- 0.04μM. Compound I (R = 4-NMe2; Ar = Ph) was found to be the most potent and moderately selective inhibitor of NPP3 (IC50 = 0.55 +/- 0.01μM). Furthermore, in vitro cytotoxicity assays of compounds against MCF-7 and HT-29 cancer cell lines exhibited compound I (R = H; Ar = 3-O2NC6H4) (IC50 = 4.70 +/- 0.67μM), and I (R = 5-Br; Ar = 4-MeC6H4) (IC50 = 1.58 +/- 0.20μM) as the most cytotoxic compounds against MCF-7 and HT-29 cancer cell lines, resp. Both the investigated compounds showed high degree of selectivity towards cancer cells than normal cells (WI-38). Mol. docking studies of selective and potent enzyme inhibitors revealed promising mode of interactions with important binding sites residues of both isoenzymes i.e., Thr256, His380, Lys255, Asn277 residues of NPP1 and His329, Thr205, and Leu239 residues of NPP3. In addition, the most potent antiproliferative agent, compound I (R = 5-Br; Ar = 4-MeC6H4), doesn’t produce hypoglycemia as a side effect when injected to mice which is an addnl. merit of this promising compound After reading the article, we found that the author used Oxetan-3-ol(cas: 7748-36-9Formula: C3H6O2)

Oxetan-3-ol(cas: 7748-36-9) is used as a reagent in the synthesis of 5-fluoro-4,6-dialkoxypyrimidine GPR119 agonists. It is also used as a reagent in the synthesis of cyclic sulfone hydroxyethylamines as potent and selective β-site APP-cleaving enzyme 1 (BACE1) inhibitors.Formula: C3H6O2

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