955-54-4

Basic information

• Product Name: 2-(4-CHLOROPHENYLTHIO)NICOTINIC ACID
• Synonyms: 2-(4-CHLOROPHENYLTHIO)PYRIDINE-3-CARBOXYLIC ACID;2-(4-CHLOROPHENYLTHIO)NICOTINIC ACID;BUTTPARK 154\16-29;2-(4-chlorophenylthio)-3-pyridine carboxylic acid;2-[(4-Chlorophenyl)sulphanyl]pyridine-3-carboxylic acid
• CAS NO: 955-54-4
• Molecular Formula: C₁₂H₈ClNO₂S
• Molecular Weight: 265.72
• Mol File: 955-54-4.mol
• Article Data: 3

Chemical Properties

• Melting Point: 218 °C
• Boiling Point: 447.3°Cat760mmHg
• Flash Point: 224.3°C
• Appearance: /
• Density: 1.48g/cm³
• Vapor Pressure: 8.77E-09mmHg at 25°C
• CAS DataBase Reference: 2-(4-CHLOROPHENYLTHIO)NICOTINIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(4-CHLOROPHENYLTHIO)NICOTINIC ACID(955-54-4)
• EPA Substance Registry System: 2-(4-CHLOROPHENYLTHIO)NICOTINIC ACID(955-54-4)

Safety Data

• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 955-54-4(Hazardous Substances Data)

Usage

General Description

2-(4-Chlorophenylthio)nicotinic acid is a chemical compound that belongs to the class of nicotinic acid derivatives. It is a derivative of nicotinic acid, which is a precursor to the coenzymes NAD and NADP, essential for cellular energy production. The compound contains a chlorophenylthio group attached to the nicotinic acid core structure. It may have potential applications in medicinal and pharmaceutical research due to its unique chemical structure and properties. Its specific functions and uses may include being a precursor in the synthesis of pharmaceuticals, as well as being involved in the study of biological and biochemical processes related to nicotinic acid and its derivatives.

InChI:InChI=1/C12H8ClNO2S/c13-8-3-5-9(6-4-8)17-11-10(12(15)16)2-1-7-14-11/h1-7H,(H,15,16)/p-1

Upstream product

• 2942-59-8 2-chloronicotinic acid 
• 106-54-7 p-Chlorothiophenol 
• 97936-26-0 N-Benzothiazol-2-yl-2-(4-chloro-phenylsulfanyl)-nicotinamide 

Downstream Products

• 97936-34-0 2-(4-Chloro-phenylsulfanyl)-N-(2,6-dimethyl-phenyl)-nicotinamide 
• 97936-25-9 2-(4-Chloro-phenylsulfanyl)-N-thiazol-2-yl-nicotinamide 
• 97936-27-1 2-(4-Chloro-phenylsulfanyl)-N-pyridin-2-yl-nicotinamide 
• 153143-99-8 2-<(4-chlorophenyl)thio>nicotinoyl azide 
• 97936-44-2 2-<(4-chlorophenyl)thio>nicotinic acid chloride 

Relevant articles and documents

Pyridobenzoxazepine and pyridobenzothiazepine derivatives as potential central nervous system agents: Synthesis and neurochemical study

In order to characterize the pharmacological profile of the different chemical classes of pyridobenzazepine derivatives, a series of N- methylpiperazinopyrido[1,4]- and -[1,5]- benzoxa- and benzothiazepine derivatives were prepared. The affinities for D2, D1, 5-HT2, and cholinergic (M) receptors were measured. In comparison to dibenzazepine reference compounds, a strong decrease of the affinities was observed, less pronounced, however, for the substituted analogues. Oxazepine and thiazepine analogues like clozapine (except 8-chloro-6-(4-methylpiperazin-1-yl)- pyrido[2,3-b][1,4]benzoxazepine (9) and 8-chloro-6-(4-methylpiperazin-1- yl)pyrido[2,3-b][1,4]-benzothiazepine (11)) were found to be inactive against apomorphine stereotypies. In the open-field test in rats, different molecules showed a high disinhibitory activity as observed with anxiolytic drugs. Moreover, 8-chloro-5-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,5]benzoxazepine (14) presented a clozapine-like profile that was confirmed in the behavioral model in dogs and showed most of the behavioral characteristics described for antipsychotic drugs. Its neurochemical profile, in particular the 5-HT2/D2 ratio, was also compatible with atypical antipsychotic activity.

Neurotropic and psychotropic agents. LXV. 8 chloro and 8 isopropyl 6 piperazinobenzo[b]pyrido[3,2 f] thiepin

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