Category: 16982-21-1

Formula: C4H7NO2SIn 2016 ,《Synthesis and biological evaluation of picolinamides and thiazole-2-carboxamides as mGluR5 (metabotropic glutamate receptor 5) antagonists》 was published in Bioorganic & Medicinal Chemistry Letters. The article was written by Vu, Hoang Nam; Kim, Ji Young; Hassan, Ahmed H. E.; Choi, Kihang; Park, Jong-Hyun; Park, Ki Duk; Lee, Jae Kyun; Pae, Ae Nim; Choo, Hyunah; Min, Sun-Joon; Cho, Yong Seo. The article contains the following contents:

Herein the synthesis and biol. evaluation of picolinamides and thiazole-2-carboxamides as potential mGluR5 antagonists are described. It was found that a series of N-aryl-4-R-2-thiazolecarboxamides (R = Br, Me, CN; aryl = 3-FC6H4, 3-NCC6H4, 2-pyridyl, 6-chloro-2-pyridyl, etc.) (I) showed better inhibitory activity against mGluR5. The compounds I (R = Br; aryl = 3-BrC6H4, 6-methyl-2-pyridyl) have been identified as potent antagonists (IC50 = 274 and 159 nM) showing excellent in vitro stability profile. Mol. docking study using the crystal structure of mGluR5 revealed that these two compounds fit the allosteric binding site of mavoglurant well. The experimental process involved the reaction of Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1Formula: C4H7NO2S)

Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1) belongs to anime. Amines characteristically form salts with acids; a hydrogen ion, H+, adds to the nitrogen. With the strong mineral acids (e.g., H2SO4, HNO3, and HCl), the reaction is vigorous. Salt formation is instantly reversed by strong bases such as NaOH. Neutral electrophiles (compounds attracted to regions of negative charge) also react with amines; alkyl halides (R′X) and analogous alkylating agents are important examples of electrophilic reagents.Formula: C4H7NO2S

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《Structure-Based Design of Tricyclic NF-κB Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K)》 was written by Castanedo, Georgette M.; Blaquiere, Nicole; Beresini, Maureen; Bravo, Brandon; Brightbill, Hans; Chen, Jacob; Cui, Hai-Feng; Eigenbrot, Charles; Everett, Christine; Feng, Jianwen; Godemann, Robert; Gogol, Emily; Hymowitz, Sarah; Johnson, Adam; Kayagaki, Nobuhiko; Kohli, Pawan Bir; Knuppel, Kathleen; Kraemer, Joachim; Kruger, Susan; Loke, Pui; McEwan, Paul; Montalbetti, Christian; Roberts, David A.; Smith, Myron; Steinbacher, Stefan; Sujatha-Bhaskar, Swathi; Takahashi, Ryan; Wang, Xiaolu; Wu, Lawren C.; Zhang, Yamin; Staben, Steven T.. Product Details of 16982-21-1This research focused ontricyclic benzoxepin preparation NFkappaB inducing kinase inhibitor phosphoinositidekinase PI3K. The article conveys some information:

The authors report a structure-guided optimization of a novel series of NF-κB inducing kinase (NIK) inhibitors. Starting from a modestly potent, low mol. weight lead, activity was improved by designing a type I1/2 binding mode that accessed a back pocket past the methionine-471 gatekeeper. Divergent binding modes in NIK and PI3K were used to dampen PI3K-inhibition while maintaining NIK inhibition within these series. Potent compounds were discovered that selectively inhibit the nuclear translocation of NF-kB2 (p52/REL-B) but not canonical NF-kB1 (REL-A/p50). The results came from multiple reactions, including the reaction of Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1Product Details of 16982-21-1)

Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1) 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.Product Details of 16982-21-1

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In 2014,Kandre, Shivaji; Bhagat, Pundlik Rambhau; Kumar Reddy, M. Mahesh; Dalal, Roda; Dixit, Amol; Deshmukh, Nitin J.; Anthony, Jessy; Bose, Julie; Anupindi, Raghuram; Sharma, Rajiv; Gupte, Amol published 《Synthesis and evaluation of cyclohexane carboxylic acid head group containing isoxazole and thiazole analogs as DGAT1 inhibitors》.European Journal of Medicinal Chemistry published the findings.Related Products of 16982-21-1 The information in the text is summarized as follows:

Diacylglycerol acyltransferase 1 (DGAT1) is known to play an important catalytic role in the final step of triglyceride biosynthesis. High fat diet fed DGAT1 knockout mice were resistant to weight gain and exhibited increased insulin and leptin sensitivity thereby indicating a plausible role for DGAT1 inhibitors in the treatment of obesity. 4-Phenylpiperidine-1-carbonyl cyclohexanecarboxylic acid has been lately reported as a potent DGAT1 inhibitor (DGAT1 IC50 = 57 nM). In the search for newer scaffolds possessing potent DGAT1 activity the authors undertook a systematic diversification of this compound to identify a 4-(5-phenylthiazole-2-carboxamido)cyclohexanecarboxylic acid scaffold I [R = PhNHCO, 3,5-F2C6H3CO, 3,5-F2C6H3SO2, etc.]. Further linker optimization of this scaffold identified compound I [R = 2-FC6H4NHCO] (DGAT1 IC50 = 14.8 nM) as a potent DGAT1 inhibitor. Coupled with its in vitro potency, the compound also exhibited 112% plasma triglyceride reduction at a 3 mpk dose in an oral fat tolerance test when studied in Swiss mice. After reading the article, we found that the author used Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1Related Products of 16982-21-1)

Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1) belongs to anime. Milder oxidation, using reagents such as NaOCl, can remove four hydrogen atoms from primary amines of the type RCH2NH2 to form nitriles (R―C≡N), and oxidation with reagents such as MnO2 can remove two hydrogen atoms from secondary amines (R2CH―NHR′) to form imines (R2C=NR′). Tertiary amines can be oxidized to enamines (R2C=CHNR2) by a variety of reagents.Related Products of 16982-21-1

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In 2013,Kakadiya, Monika; Parmar, Bharti; Chethan, G. H.; Deka, Satyendra; Saravanan, J.; Mohan, S. published 《Synthesis of some novel triazole heterocyclic derivatives as antibacterial agents》.American Journal of PharmTech Research published the findings.Recommanded Product: Ethyl 2-amino-2-thioxoacetate The information in the text is summarized as follows:

Ethyl-4-(4′-chlorophenyl)-thiazol-2-carboxylate was treatment with hydrazine hydrate to obtain 4-(4′-chlorophenyl)-thiazol-2-carbohydrazide and subsequent reaction with alc. potassium hydroxide and carbon disulfide yielded potassium-[4-(4′-chlorophenyl)-thiazol]-2-dithiocarbazinate . Moreover 4-amino-5-(4′-(4”-chlorophenyl)thiazol-2′-yl)-3-mercapto-4H-1,2,4-triazole was obtained by the reaction of potassium salt of thiazolyl derv. with hydrazine hydrate in water under reflux conditions. Further condensation with substituted aromatic aldehydes generated the corresponding different triazole derivatives The structures of the compounds were confirmed by elemental anal. and spectral anal. Antibacterial activity of the synthesized compounds was evaluated by tube dilution method against two gram pos. and two gram neg. bacteria using ciprofloxacin as standard In the experiment, the researchers used Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1Recommanded Product: Ethyl 2-amino-2-thioxoacetate)

Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1) belongs to anime. Acylation is one of the most important reactions of primary and secondary amines; a hydrogen atom is replaced by an acyl group (a group derived from an acid, such as RCOOH or RSO3H, by removal of ―OH, such as RC(=O)―, RS(O)2―, and so on). Reagents may be acid chlorides (RCOC1, RSO2C1), anhydrides ((RCO)2O), or even esters (RCOOR′); the products are amides of the corresponding acids.Recommanded Product: Ethyl 2-amino-2-thioxoacetate

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In 2011,Gallardo-Godoy, Alejandra; Gever, Joel; Fife, Kimberly L.; Silber, B. Michael; Prusiner, Stanley B.; Renslo, Adam R. published 《2-Aminothiazoles as Therapeutic Leads for Prion Diseases》.Journal of Medicinal Chemistry published the findings.Computed Properties of C4H7NO2S The information in the text is summarized as follows:

2-Aminothiazoles are a new class of small mols. with antiprion activity in prion-infected neuroblastoma cell lines. We report here structure-activity studies undertaken to improve the potency and physiochem. properties of 2-aminothiazoles, with a particular emphasis on achieving and sustaining high drug concentrations in the brain. The results of this effort include the generation of informative structure-activity relationships (SAR) and the identification of lead compounds that are orally absorbed and achieve high brain concentrations in animals. The new aminothiazole analog (5-methylpyridin-2-yl)-[4-(3-phenylisoxazol-5-yl)-thiazol-2-yl]-amine (27), for example, exhibited an EC50 of 0.94 μM in prion-infected neuroblastoma cells (ScN2a-cl3) and reached a concentration of ∼25 μM in the brains of mice following three days of oral administration in a rodent liquid diet. The studies described herein suggest 2-aminothiazoles as promising new leads in the search for effective therapeutics for prion diseases. In the experimental materials used by the author, we found Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1Computed Properties of C4H7NO2S)

Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1) belongs to anime. Halogenation, in which one or more hydrogen atoms of an amine is replaced by a halogen atom, occurs with chlorine, bromine, and iodine, as well as with some other reagents, notably hypochlorous acid (HClO). With primary amines the reaction proceeds in two stages, producing N-chloro- and N,N-dichloro-amines, RNHCl and RNCl2, respectively. With tertiary amines, an alkyl group may be displaced by a halogen.Computed Properties of C4H7NO2S

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Synthetic Route of C4H7NO2SIn 2020 ,《Optimization and biological evaluation of thiazole-bis-amide inverse agonists of RORγt》 was published in Bioorganic & Medicinal Chemistry Letters. The article was written by Gege, Christian; Albers, Michael; Kinzel, Olaf; Kleymann, Gerald; Schlueter, Thomas; Steeneck, Christoph; Hoffmann, Thomas; Xue, Xiaohua; Cummings, Maxwell D.; Spurlino, John; Milligan, Cynthia; Fourie, Anne M.; Edwards, James P.; Leonard, Kristi; Coe, Kevin; Scott, Brian; Pippel, Dan; Goldberg, Steven D.. The article contains the following contents:

The nuclear receptor retinoic acid receptor-related orphan receptor gamma t (RORγt) is a transcription factor that drives Th17 cell differentiation and IL-17 production in both innate and adaptive immune cells. The IL-23/IL-17 pathway is implicated in major autoimmune and inflammatory diseases. RORγt lies at the core of this pathway and represents an attractive opportunity for intervention with small mol. therapeutics. Despite diverse chem. series having been reported, combining high potency and nuclear receptor selectivity with good physicochem. properties remains a challenging endeavor in the field of RORγt drug discovery. We recently described the discovery and evaluation of a new class of potent and selective RORγt inverse agonists based on a thiazole scaffold. Herein we describe the successful optimization of this class by incorporation of an addnl. amide moiety at the 4-position of the thiazole core. In several optimization cycles, we have reduced human PXR activation, improved solubility, and increased potency while maintaining nuclear receptor selectivity. X-ray crystallog. anal. of compound 1g bound in the sterol binding site of the ligand binding domain of RORγt was largely consistent with an earlier structure, guiding further insight into the mol. mechanism for RORγt inhibition with this series. Compound 1g is orally bioavailable, potent in a human whole blood assay and proved to be efficacious in an ex-vivo IL-17A assay, and was selected for preclin. evaluation.Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1Synthetic Route of C4H7NO2S) was used in this study.

Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1) belongs to anime. To avoid the problem of multiple alkylation, methods have been devised for “blocking” substitution so that only one alkyl group is introduced. The Gabriel synthesis is one such method; it utilizes phthalimide, C6H4(CO)2NH, whose one acidic hydrogen atom has been removed upon the addition of a base such as KOH to form a salt.Synthetic Route of C4H7NO2S

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Related Products of 16982-21-1In 2018 ,《Identification and biological evaluation of thiazole-based inverse agonists of RORγt》 was published in Bioorganic & Medicinal Chemistry Letters. The article was written by Gege, Christian; Cummings, Maxwell D.; Albers, Michael; Kinzel, Olaf; Kleymann, Gerald; Schlueter, Thomas; Steeneck, Christoph; Nelen, Marina I.; Milligan, Cindy; Spurlino, John; Xue, Xiaohua; Leonard, Kristi; Edwards, James P.; Fourie, Anne; Goldberg, Steven D.; Hoffmann, Thomas. The article contains the following contents:

The nuclear receptor retinoic acid receptor-related orphan receptor gamma t (RORγt) is a transcription factor that drives Th17 cell differentiation and IL-17 production in both innate and adaptive immune cells. The IL-23/IL-17 pathway is implicated in major autoimmune and inflammatory diseases. RORγt lies at the core of this pathway and represents an attractive opportunity for intervention with a small mol. Despite diverse chem. series having been reported, combining high potency and nuclear receptor selectivity with good physicochem. properties remains a challenging endeavor in the field of RORγt drug discovery. The authors describe the discovery and evaluation of a new class of potent and selective RORγt inverse agonists based on a thiazole core. Acid analog 1j (Et 5-[4-[N-(tert-butyl)sulfamoyl]naphthalen-1-yl]-4-(cyclohexylmethyl)thiazole-2-carboxylate) demonstrated oral bioavailability in rats and was potent in a human whole blood assay, suggesting potential utility in treating autoimmune and inflammatory diseases such as psoriasis. X-ray crystallog. data helped to elucidate the mol. mechanism for RORγt inhibition with this series. After reading the article, we found that the author used Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1Related Products of 16982-21-1)

Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1) belongs to anime. The methylamines occur in small amounts in some plants. Many polyfunctional amines (i.e., those having other functional groups in the molecule) occur as alkaloids in plants—for example, mescaline, 2-(3,4,5-trimethoxyphenyl)ethylamine; the cyclic amines nicotine, atropine, morphine, and cocaine; and the quaternary salt choline, N-(2-hydroxyethyl)trimethylammonium chloride, which is present in nerve synapses and in plant and animal cells.Related Products of 16982-21-1

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COA of Formula: C4H7NO2SIn 2009 ,《A single-step preparation of thiazolo[5,4-b]pyridine- and thiazolo[5,4-c]pyridine derivatives from chloronitropyridines and thioamides, or thioureas》 was published in Journal of Heterocyclic Chemistry. The article was written by Sahasrabudhe, Kiran P.; Angels Estiarte, M.; Tan, Darlene; Zipfel, Sheila; Cox, Matthew; O’Mahony, Donogh J. R.; Edwards, William T.; Duncton, Matthew A. J.. The article contains the following contents:

A one-step synthesis of thiazolo[5,4-b]pyridines from an appropriately substituted chloronitropyridine and thioamide, or thiourea, is presented. In particular, the reaction was used to prepare a large number of 6-nitrothiazolo[5,4-b]pyridine derivatives, bearing hydrogen, alkyl, substituted alkyl, cycloalkyl, aryl, heteroaryl, and amine substituents at the 2-position. The reaction could also be extended to produce a thiazolo[4,5-c]pyridine derivative and thiazolo[5,4-b]pyridines with alternative substituents on the pyridinoid ring. J. Heterocyclic Chem., (2009). In the part of experimental materials, we found many familiar compounds, such as Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1COA of Formula: C4H7NO2S)

Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1) belongs to anime. Amines can be classified according to the nature and number of substituents on nitrogen. Aliphatic amines contain only H and alkyl substituents. Aromatic amines have the nitrogen atom connected to an aromatic ring.Important amines include amino acids, biogenic amines, trimethylamine, and aniline. Inorganic derivatives of ammonia are also called amines, such as monochloramine (NClH2).COA of Formula: C4H7NO2S

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In 2017,Barlaam, Bernard; Cosulich, Sabina; Fitzek, Martina; Germain, Herve; Green, Stephen; Hanson, Lyndsey L.; Harris, Craig S.; Hancox, Urs; Hudson, Kevin; Lambert-van der Brempt, Christine; Lamorlette, Maryannick; Magnien, Francoise; Ouvry, Gilles; Page, Ken; Ruston, Linette; Ward, Lara; Delouvrie, Benedicte published 《Discovery of a novel aminopyrazine series as selective PI3Kα inhibitors》.Bioorganic & Medicinal Chemistry Letters published the findings.Computed Properties of C4H7NO2S The information in the text is summarized as follows:

We report the discovery of a novel aminopyrazine series of PI3Kα inhibitors, designed by hybridizing two known scaffolds of PI3K inhibitors. We describe the progress achieved from the first compounds plagued with poor general kinase selectivity to compounds showing high selectivity for PI3Kα over PI3Kβ and excellent general kinase selectivity. This effort culminated with the identification of compound 5 displaying high potency and selectivity, and suitable physiochem. and pharmacokinetic properties for oral administration. In vivo, compound I showed good inhibition of tumor growth (86% tumor growth inhibition at 50 mg/kg twice daily orally) in the MCF7 xenograft model in mice. The results came from multiple reactions, including the reaction of Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1Computed Properties of C4H7NO2S)

Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1) belongs to anime. Reduction of nitro compounds, RNO2, by hydrogen or other reducing agents produces primary amines cleanly (i.e., without a mixture of products), but the method is mostly used for aromatic amines because of the limited availability of aliphatic nitro compounds. Reduction of nitriles and oximes (R2C=NOH) also yields primary amines.Computed Properties of C4H7NO2S

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In 2007,Shearer, Barry G.; Chao, Esther Y.; Uehling, David E.; Deaton, David N.; Cowan, Conrad; Sherman, Bryan W.; Milliken, Tula; Faison, Walter; Brown, Kathleen; Adkison, Kimberly K.; Lee, Frank published 《Synthesis and evaluation of potent and selective β3 adrenergic receptor agonists containing heterobiaryl carboxylic acids》.Bioorganic & Medicinal Chemistry Letters published the findings.Recommanded Product: Ethyl 2-amino-2-thioxoacetate The information in the text is summarized as follows:

Nonracemic (chlorophenethylaminoethylamino)phenyl heteroarylcarboxylic acids such as I are prepared as selective human β3 adrenergic receptor agonists for potential use as agents for the treatment of type 2 diabetes; the selectivities of the heteroarylcarboxylic acids for β3 adrenergic receptors over β1 and β2 adrenergic receptors is determined Aminophenylfurancarboxylate II is prepared by diazotization of 3-nitroaniline and copper-mediated coupling with 3-furancarboxylic acid followed by esterification with methanol and reduction of the nitro group; aldehyde III (TBS = tert-butyldimethylsilyl; Boc = tert-butoxycarbonyl) is prepared by reduction of the corresponding carboxylic acid Me ester. Reductive amination of III with II followed by cleavage of the silyl and butoxycarbonyl groups and base hydrolysis of the ester provides I. The glucose-lowering effect of I upon oral administration to male db/db mice is determined In the part of experimental materials, we found many familiar compounds, such as Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1Recommanded Product: Ethyl 2-amino-2-thioxoacetate)

Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1) 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.Recommanded Product: Ethyl 2-amino-2-thioxoacetate

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics