Tag: 100-200

《Synthesis and Pharmacological Evaluation of Triazolopyrimidinone Derivatives as Noncompetitive, Intracellular Antagonists for CC Chemokine Receptors 2 and 5》 was written by Ortiz Zacarias, Natalia V.; van Veldhoven, Jacobus P. D.; den Hollander, Lisa S.; Dogan, Burak; Openy, Joseph; Hsiao, Ya-Yun; Lenselink, Eelke B.; Heitman, Laura H.; IJzerman, Adriaan P.. Related Products of 4949-44-4This research focused ontriazolopyrimidinone preparation chemokine receptor antagonist. The article conveys some information:

In this study, synthesis and the biol. activity of a series of triazolopyrimidinones I (R1 = Ph, 2-MeOC6H4, 3-ClC6H4, 3,4-Cl2C6H3, etc.; R2 = H, Me, H2N; R3 = Me, Et, i-Pr, cyclopropyl, Ph, etc.) as intracellular antagonists for CC chemokine receptors 2 and 5 (CCR2 and CCR5) are reported. Radioligand binding assays first showed that these compounds bind to the intracellular site of CCR2, and in combination with functional assays on CCR5, structure-affinity/activity relationships in both receptors were explored. Although most compounds were CCR2-selective, the compounds I (R1 = 2,3-Cl2C6H3, 3-Br-4-ClC6H3; R2 = H2N; R3 = i-Pr) inhibited β-arrestin recruitment in CCR5 with high potency. Moreover, these compounds displayed an insurmountable mechanism of inhibition in both receptors, which holds promise for improved efficacy in inflammatory diseases.Ethyl 3-oxopentanoate(cas: 4949-44-4Related Products of 4949-44-4) was used in this study.

Ethyl 3-oxopentanoate(cas: 4949-44-4) belongs to ketone compounds. They are most widely used as solvents, especially in industries manufacturing explosives, lacquers, paints, and textiles. Ketones are also used in tanning, as preservatives, and in hydraulic fluids.Related Products of 4949-44-4

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《Seed treatment and foliar application of methyl salicylate (MeSA) as a defense mechanism in rice plants against the pathogenic bacterium, Xanthomonas oryzae pv. oryzae》 was written by Kalaivani, Kandasamy; Maruthi-Kalaiselvi, Marimuthu; Senthil-Nathan, Sengottayan. Quality Control of Methyl SalicylateThis research focused onXanthomonas oryzae methyl salicylate seed treatment foliar application; Blight; Induced defense; PR-protein; Plant-hormone; Rice. The article conveys some information:

Me salicylate (MeSA) is a volatile biol. compound synthesized from salicylic acid (SA) and is a plant hormone that helps defend against pests and pathogens. A major bacterial pathogen of rice, Xanthomonas oryzae pv. oryzae (Xoo) causes severe disease. Seed and plant treatments with MeSA can stimulate the defense enzyme peroxidase (POD) in plants. Response of peroxidase activity in rice (Oryza sativa L) cultivars IR 20, IR 50, IR 64, ASD 16, ASD 19 and ADT 46 to MeSA were measured under greenhouse conditions. Treatments of rice seedlings with MeSA at 50 and 100 mg L-1 significantly upregulated POD expression in the plants. The activity of POD was also significantly upregulated when plants were inoculated with bacterial blight. Effects were stronger in ASD 16, ASD 19 and ADT 46 and were more pronounced in high dose treatment (100 mg L-1) when inoculated with bacterial blight condition and the effects were dose dependent, although the relationship between dose and rice varieties were not always linear. The pathogenic related (PR) protein bands at 33 kDa and 14 kDa were identified in treatments of 100 mg L-1 MeSA in the presence of bacterial blight disease. Band intensity was estimated to be twice that of those from pathogen induce MeSA levels in rice plants. These results suggest that treatment with MeSA can significantly increase the POD defense related enzyme by altering the plant physiol. in ways that may be beneficial for crop protection. The results came from multiple reactions, including the reaction of Methyl Salicylate(cas: 119-36-8Quality Control of Methyl Salicylate)

Methyl Salicylate(cas: 119-36-8) is a natural herbivore-induced plant volatile. It is a naturally occurring product in trees, legumes, exotic plants, vegetables, berries, and the primary constituent of the oil of wintergreen.Methyl Salicylate is produced from salicylic acid.Quality Control of Methyl Salicylate

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Recommanded Product: Benzyl acrylateIn 2019 ,《Radical Approach to Thioester-Containing Polymers》 was published in Journal of the American Chemical Society. The article was written by Smith, Ronald A.; Fu, Guanyao; McAteer, Owen; Xu, Mizhi; Gutekunst, Will R.. The article contains the following contents:

A new approach to radical ring-opening polymerization is presented that employs a new thionolactone monomer to generate polymers with thioester-containing backbones. The use of a thiocarbonyl acceptor overcomes longstanding reactivity problems in the field to give complete ring-opening and quant. incorporation into a variety of acrylate polymers. The resulting copolymers readily degrade under hydrolytic conditions, in addition to cysteine-mediated degradation through transthioesterification. The strategy is compatible with reversible addition-fragmentation chain transfer (RAFT) polymerization and permits the synthesis of block polymers for the preparation of well-defined macromol. structures. In the part of experimental materials, we found many familiar compounds, such as Benzyl acrylate(cas: 2495-35-4Recommanded Product: Benzyl acrylate)

Benzyl acrylate(cas: 2495-35-4) is a reagent that can be used in the preparation of 2-(Phosphonomethyl)pentanedioic Acid, a selective glutamate carboxypeptidase 2 (GCP-II) inhibitor. It can also be used in the preparation of high refractive index polyacrylates.Recommanded Product: Benzyl acrylate

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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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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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Ester – Wikipedia,
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Recommanded Product: Methyl 3-hydroxypropanoateIn 2007 ,《Thermal decomposition of methyl β-hydroxyesters in m-xylene solution》 was published in International Journal of Chemical Kinetics. The article was written by Zapata, Edilma; Gaviria, Jair; Quijano, Jairo. The article contains the following contents:

The products and kinetics of the thermal decomposition of several methyl-β-hydroxyesters in m-xylene solution were studied. All β-hydroxyesters studied pyrolyze to form a mixture of Me acetate and the corresponding aldehyde or ketone and the decomposition follows first-order kinetics and appears to be homogeneous and unimol. The rate pyrolysis of methyl-3-hydroxypropanoate, methyl-3-hydroxybutanoate, and methyl-3-hydroxy-3-methylbutanoate was measured between 250 and 320°C. The relative rates of primary, secondary, and tertiary alcs. at 553 K are 1.0, 8.5 and 54.1, resp. The absence of large substituent effects indicates that little charge separation occurs during the breaking of carbon-carbon single bond. The activation entropy is compatible with a semipolar six-membered cyclic transition state postulated for other β-hydroxy compounds In addition to this study using Methyl 3-hydroxypropanoate, there are many other studies that have used Methyl 3-hydroxypropanoate(cas: 6149-41-3Recommanded Product: Methyl 3-hydroxypropanoate) was used in this study.

Methyl 3-hydroxypropanoate(cas: 6149-41-3) belongs to esters with low molecular weight are commonly used as fragrances and found in essential oils and pheromones. Their flexibility and low polarity is manifested in their physical properties; they tend to be less rigid (lower melting point) and more volatile (lower boiling point) than the corresponding amides. Recommanded Product: Methyl 3-hydroxypropanoate

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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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Reference of N-tert-ButoxycarbonylhydroxylamineIn 2019 ,《1-Aminopyridinium Ylides as Monodentate Directing Groups for sp3 C-H Bond Functionalization》 appeared in Journal of the American Chemical Society. The author of the article were Le, Ky Khac Anh; Nguyen, Hanh; Daugulis, Olafs. The article conveys some information:

1-Aminopyridinium ylides are efficient directing groups for palladium-catalyzed β-arylation and alkylation of sp3 C-H bonds in carboxylic acid derivatives The efficiency of these directing groups depends on the substitution at the pyridine moiety. The unsubstituted pyridine-derived ylides allow functionalization of primary C-H bonds, while methylene groups are unreactive in the absence of external ligands. 4-Pyrrolidinopyridine-containing ylides are capable of C-H functionalization in acyclic methylene groups in the absence of external ligands, thus rivaling the efficiency of the aminoquinoline directing group. Preliminary mechanistic studies have been performed. A cyclopalladated intermediate has been isolated and characterized by X-ray crystallog., and its reactivity was studied. The experimental process involved the reaction of N-tert-Butoxycarbonylhydroxylamine(cas: 36016-38-3Reference of N-tert-Butoxycarbonylhydroxylamine)

N-tert-Butoxycarbonylhydroxylamine(cas: 36016-38-3) belongs to anime. Primary amines having a tertiary alkyl group (R3CNH2) are difficult to prepare with most methods but are made industrially by the Ritter reaction. In this method a tertiary alcohol reacts with hydrogen cyanide (HCN) in the presence of a concentrated strong acid; a formamide, RNH―CHO, is formed first, which then undergoes hydrolysis.Reference of N-tert-Butoxycarbonylhydroxylamine

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Recommanded Product: 4755-77-5In 2022 ,《Anti-inflammation and antimalarial profile of 5-pyridin-2-yl-1H-[1,2,4]triazole-3-carboxylic acid ethyl ester as a low molecular intermediate for hybrid drug synthesis》 appeared in Research on Chemical Intermediates. The author of the article were Eya’ane Meva, Francois; Prior, Timothy J.; Evans, David J.; Shah, Sachin; Tamngwa, Cynthia Fake; Belengue, Herschelle Guyenne Lagrange; Mang, Roland Emmanuel; Munro, Justin; Qahash, Tarrick; Llinas, Manuel. The article conveys some information:

A novel 1,2,4-triazole intermediate 5-pyridin-2-yl-1H-[1,2,4]triazole-3-carboxylic acid Et ester was prepared by the reaction of N’-aminopiridyne-2-carboximidamine and an excess monoethyl oxalyl chloride and screened for biol. activities. The compound was structurally characterized by NMR spectroscopy, elemental anal., IR spectroscopy, and single-crystal X-ray diffraction. Bioassays indicated that the compound exhibits potent anti-inflammation activity in vitro. An egg albumin denaturation assay to assess the anti-inflammatory effect of the synthesized compound showed a significant inhibition of protein with a maximum inhibition of 71.1% at the highest tested concentration (1000μg/mL) compared to 81.3% for Aspirin as standard drug. The antimalarial activity on the 3D7 P. falciparum strain was determined to be IC50 176μM and was obtained prior to connection with pharmacophoric groups. In addition to this study using Ethyl oxalyl monochloride, there are many other studies that have used Ethyl oxalyl monochloride(cas: 4755-77-5Recommanded Product: 4755-77-5) was used in this study.

Ethyl oxalyl monochloride(cas: 4755-77-5) belongs to acyl chlorides. Lacking the ability to form hydrogen bonds, acyl chlorides have lower boiling and melting points than similar carboxylic acids. For example, acetic acid boils at 118 °C, whereas acetyl chloride boils at 51 °C. Like most carbonyl compounds, infrared spectroscopy reveals a band near 1750 cm−1.Recommanded Product: 4755-77-5

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Jaeger, David A.; Broadhurst, Michael D.; Cram, Donald J. published an article on January 31 ,1979. The article was titled 《Electrophilic substitution at saturated carbon. 52. A model for the proton transfer steps of biological transamination and the effect of a 4-pyridyl group on the base-catalyzed racemization of a carbon acid》, and you may find the article in Journal of the American Chemical Society.Recommanded Product: 69557-34-2 The information in the text is summarized as follows:

Imines (-)-(S)-N-(α-ethoxycarbonylneopentylidene)-α-(4-pyridyl)ethylamine [(-)-I] and (-)-(S)-N-[α-(4-pyridyl)ethylidene]-α-ethoxycarbonylneopentylamine [(-)-II] were prepared in optically pure forms for study as models for the biol. transamination reaction. In tert-Bu alc. at 50°, 1,5-diazabicyclo[4.3.0]non-5-ene (DBN) catalyzed equilibration gave K = II/I >199. Under the same conditions, isomerization of (-)-I to II and racemization of (-)-I occurred at comparable rates. Imine (-)-II resulted, and use of a kinetic model which corrected for concomitant racemization of (-)-I gave a value of 12% for the stereospecificity of the I to II isomerization. Likewise, with (-)-I in pyridine and in DMSO-2H6 with 1,4-diazabicyclo[2.2.2]octane (Dabco) as catalyst at 101.4°, corrected values of 24 and 29% stereospecificity, resp., were obtained for the isomerization of I to II. In each case the stereospecific component of the isomerization was interpreted in terms of the intermediacy of a single, inherently sym. aza-allylic carbanion A asym. ion paired with the conjugate acid of the base. The stereospecific isomerization occurred in cis or suprafacial fashion across the face of carbanion A. Collapse of A favored II over I by a factor of ∼4 in tert-Bu alc.-O-d-DBN, and in the same medium, intramolecularity in the isomerization of I-H to II was 37%. Isotopic exchange reactions of (-)-I and (-)-II were studied in tert-Bu alc.-O-d-DBN, and kc/kα, values of 0.25 and 7, resp., resulted. Thus the isotopic exchange of I occurred with isoinversion and that of II with retention of configuration. The role of the 4-pyridyl group in the isoinversion pathway of (-)-I was analyzed by a study of the isotopic exchange reactions of (-)-(S)-N,N-dimethyl-α-(4-pyridyl)ethylamine (III). Three solvent base systems were used, tert-Bu alc.-O-d-K tert-butoxide at 50.7°, hexamethylphosphoramide-tert-Bu alc.-O-d-DBN at 175°, and MeOH-O-d-K methoxide at 100°, and kc/kα values of 0.75, 0.42, and 1, resp., resulted. In each of the first 2 solvents isoinversion was a contributing mechanistic pathway resulting from the effect of the 4-pyridyl group. In addition to this study using Ethyl (2S)-2-amino-3,3-dimethylbutanoate, there are many other studies that have used Ethyl (2S)-2-amino-3,3-dimethylbutanoate(cas: 69557-34-2Recommanded Product: 69557-34-2) was used in this study.

Ethyl (2S)-2-amino-3,3-dimethylbutanoate(cas: 69557-34-2) belongs to esters. They are important in biology, being one of the main classes of lipids and comprising the bulk of animal fats and vegetable oils.Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones.Recommanded Product: 69557-34-2

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Ester – Wikipedia,
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