112811-90-2

Basic information

• Product Name: 2-Thiobenzyl nicotinic acid
• Synonyms: 2-THIOBENZYL NICOTINIC ACID;2-THIOBENZYPYRIDINE-3-CARBOXYLIC ACID;2-[(phenylmethyl)thio]-3-pyridinecarboxylic acid;2-BENZYLTHIONICOTINIC ACID;2-[(Phenylmethyl)thio]-nicotinic acid;2-Thiobenzyl;2-thiobenzynicotinic acid;2-PHENYLMETHYLTHIONICOTINIC ACID, 98+%
• CAS NO: 112811-90-2
• Molecular Formula: C₁₃H₁₁NO₂S
• Molecular Weight: 245.3
• Product Categories: Carboxylic Acids;Pyridines;Organic acids;Carboxylic Acids
• Mol File: 112811-90-2.mol
• Article Data: 8

Chemical Properties

• Melting Point: 188-190°C
• Boiling Point: 431.1 °C at 760 mmHg
• Flash Point: 214.5 °C
• Appearance: /
• Density: 1.33 g/cm³
• Vapor Pressure: 3.73E-07mmHg at 25°C
• Refractive Index: 1.633
• Storage Temp.: 2-8°C
• PKA: 1.56±0.36(Predicted)
• CAS DataBase Reference: 2-Thiobenzyl nicotinic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Thiobenzyl nicotinic acid(112811-90-2)
• EPA Substance Registry System: 2-Thiobenzyl nicotinic acid(112811-90-2)

Safety Data

• Hazardous Substances Data: 112811-90-2(Hazardous Substances Data)

Usage

Chemical Properties

White crystalline powder

InChI:InChI=1/C13H11NO2S/c15-13(10-5-3-7-14-8-10)16-9-11-4-1-2-6-12(11)17/h1-5,7-8H,6,9H2

Upstream product

• 2942-59-8 2-chloronicotinic acid 
• 100-53-8 phenylmethanethiol 
• 446-26-4 methyl 2-fluoro-3-pyridinecarboxylate 
• 89407-37-4 benzyl(cyano-3 pyridyl-2) sulfure 
• 38521-46-9 3-carboxy-2-mercaptopyridine 
• 100-44-7 benzyl chloride 

Downstream Products

• 1027206-67-2 3-[(2-Benzylsulfanyl-pyridine-3-carbonyl)-amino]-benzoic acid methyl ester 
• 158094-15-6 2-(benzylsulfanyl)-N-(3-methoxyphenyl)nicotinamide 
• 1026078-63-6 2-Benzylsulfanyl-N-naphthalen-1-yl-nicotinamide 
• 1027256-48-9 2-Benzylsulfanyl-N-(2-methoxy-phenyl)-nicotinamide 
• 1027953-16-7 2-Benzylsulfanyl-N-(3-hydroxy-phenyl)-nicotinamide 
• 1027573-35-8 2-Benzylsulfanyl-N-(3,4-dimethoxy-phenyl)-nicotinamide 
• 1026734-39-3 4-[(2-Benzylsulfanyl-pyridine-3-carbonyl)-amino]-benzoic acid methyl ester 
• 1027541-14-5 2-Benzylsulfanyl-N-(2,5-dimethoxy-phenyl)-nicotinamide 
• 1026707-62-9 2-Benzylsulfanyl-N-(4-chloro-2,5-dimethoxy-phenyl)-nicotinamide 
• 1216911-30-6 2-(benzylthio)-N-(4-methylphenyl)nicotinamide 
• 1314242-66-4 2-(benzylthio)-N-(3,4-dichlorophenyl)nicotinamide 
• 1314242-60-8 2-(3,4-dichlorophenyl)isothiazolo[5,4-b]pyridin-3(2H)-one 
• 1314242-61-9 2-(3,4-difluorophenyl)isothiazolo[5,4-b]pyridin-3(2H)-one 
• 104857-28-5 2-(4-methylphenyl)-3-oxoisothiazolo<5,4-b>pyridine 

Relevant articles and documents

Azacyclo diketone compound and preparation method thereof

The invention provides an azacyclo diketone compound, which is a compound represented by the following structure defined in the specification, or a pharmaceutically acceptable salt thereof. The invention provides a compound having an inhibitory activity on influenza (flu) virus proliferation, particularly on influenza-related cap-dependent endonuclease to inhibit influenza virus proliferation so as to treat or prevent influenza. The present invention relates to a substituted azacyclo diketone compound having inhibitory activity on cap-dependent endonuclease, and a pharmaceutical composition containing the substituted azacyclo diketone compound.

Azacycle diketone compound and preparation method thereof (by machine translation)

The invention provides a azacyclodiketone compound which is characterized by being a compound represented by the following structure. The compound has inhibitory activity on cap-dependent endonuclease. (by machine translation)

Synthesis and biological testing of novel pyridoisothiazolones as histone acetyltransferase inhibitors

We present a combination of database screening, synthesis and in vitro testing to identify novel histone acetyltransferase (HAT) inhibitors. The National Cancer Institute compound collection (NCI) and several commercial databases were filtered by similarity-based virtual screening to find new HAT inhibitors. Employing the recombinant HAT p300/CBP-associated factor (PCAF) and two different histone substrates for screening, pyridoisothiazolones were identified as inhibitors of human PCAF. Due to the limited solubility of the initial hits, we synthesized and tested them on PCAF. The compounds inhibit the proliferation of cancer cells. In summary, valuable chemical tools and potential lead candidates for new anticancer agents directed against HATs as new targets have been identified.

Microwave-assisted synthesis of 2-aminonicotinic acids by reacting 2-chloronicotinic acid with amines

2-(Methylamino)nicotinic acid was readily prepared in high yield by reacting 2-chloronicotinic acid with 40% aq MeNH2 under microwave irradiation either at 120 °C for 2 h or at 140 °C for 1.5 h. Subsequently, we found that a range of 2-aminonicotinic acids could be obtained under microwave heating. The optimal reaction conditions involved the use of 3 equiv of amine, water as the solvent and heating at 200 °C for 2 h in the presence of diisopropylethylamine (3 equiv).

PROCESS FOR PRODUCING 2-(PHENYL METHYL THIO)-3-PYRIDINE CARBOXYLIC ACID

The invention discloses an improved process for producing an intermediate to produce large quantity of 2-(Phenyl methyl thio)-3-pyridine carboxylic acid. The process comprises reacting 2-chloro-3-cyanopyridine with benzyl mercaptan in presence of a base a

Heteroaryl-Fused 2-Phenylisothiazolone Inhibitors of Cartilage Breakdown

The synthesis, biological evaluation, and structure-activity relationships of a series of N-phenyl heteroaryl-fused isothiazolones are described.These isothiazolones have been shown to exhibit potent, dose-dependent inhibition of IL-1β-induced breakdown of proteoglycan in a cartilage organ culture assay.This effect is likely due to inhibition of MMP activation and a consequent reduction in MMP activity following IL-1β stimulation.Thus these compounds potentially represent simple, non-peptidic disease-modifying agents for the treatment of arthritic diseases.To examine the effects of structure on in vitro activity, three general features of the molecules were varied, substituents on the pendant N-phenyl group, the position of ring fusion to the isothiazolone, and substituents on the fused ring peri to the isothiazolone sulfur.

Herbicidal pyridine sulfonamides

(Aminosulfonyl)pyridine carboxamides are useful as agricultural chemicals. In particular, many compounds are useful as herbicides which show significant herbicidal activity on grasses and yet have the unexpected property of being safe to corn.

Herbicidal pyridine sulfonamides

N,N-dimethyl-2-(aminosulfonyl)-3-pyridine carboxamides are useful as agricultural chemicals. In particular, the compounds are useful as herbicides which show significant herbicidal activity on grasses and yet have the unexpected property of being safe to corn.