52648-45-0

Basic information

• Product Name: 2-ISOTHIOCYANATOPYRIDINE
• Synonyms: 2-PYRIDYL ISOTHIOCYANATE;2-ISOTHIOCYANATOPYRIDINE;2-Pyridinyl isothiocyanate
• CAS NO: 52648-45-0
• Molecular Formula: C₆H₄N₂S
• Molecular Weight: 136.17
• EINECS: 258-068-4
• Mol File: 52648-45-0.mol
• Article Data: 17

Chemical Properties

• Melting Point: 110-111 °C(Solv: acetone (67-64-1))
• Boiling Point: 253.8°Cat760mmHg
• Flash Point: 107.3°C
• Appearance: /
• Density: 1.14g/cm³
• Vapor Pressure: 0.0286mmHg at 25°C
• Refractive Index: 1.61
• PKA: 0.61±0.19(Predicted)
• CAS DataBase Reference: 2-ISOTHIOCYANATOPYRIDINE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-ISOTHIOCYANATOPYRIDINE(52648-45-0)
• EPA Substance Registry System: 2-ISOTHIOCYANATOPYRIDINE(52648-45-0)

Safety Data

• Hazardous Substances Data: 52648-45-0(Hazardous Substances Data)

Usage

General Description

2-ISOTHIOCYANATOPYRIDINE is a chemical compound with the molecular formula C6H4N2S. It belongs to the class of isothiocyanates, which are known for their diverse biological activities, including anticancer, antibacterial, antifungal, and insecticidal properties. 2-ISOTHIOCYANATOPYRIDINE has been studied for its potential application as a fungicide and as an intermediate in the synthesis of pharmaceuticals and agrochemicals. It exhibits a strong odor and is a yellowish solid at room temperature. 2-ISOTHIOCYANATOPYRIDINE has also been investigated for its potential use in organic synthesis and medicinal chemistry due to its unique chemical reactivity and potential biological activities.

InChI:InChI=1/C6H4N2S/c9-5-8-6-3-1-2-4-7-6/h1-4H

Upstream product

• 504-29-0 2-aminopyridine 
• 463-71-8 thiophosgene 
• 13037-46-2 pyridin-2-yl-dithiocarbamic acid methyl ester 
• 54026-17-4 3-(2-pyridyl)-pyrido<1,2-a>-1,3,5-triazine-2,4-dithione 
• 1212-30-2 1,3-di-pyridin-2-yl-thiourea 
• 110-89-4 piperidine 
• 1148020-80-7 4-methylphenyl N-(2-pyridyl)thionocarbamate 
• 32315-10-9 bis(trichloromethyl) carbonate 
• 102368-13-8 1,1'-Thiocarbonyldi-2(1H)-pyridone 

Downstream Products

• 73840-16-1 1-Propyl-3-(2-pyridyl)thiourea 
• 80913-47-9 3-Ethyl-4-phenyl-3,4-dihydro-pyrido[1,2-a][1,3,5]triazine-2-thione 
• 80913-62-8 5,5-dimethyl-2-phenyl-4-(2-pyridyl)-1,2,4-triazolidine-3-thione 
• 138686-64-3 N-2-chlorbenzolsulfonyl-N-pyridylthioharnstoff 
• 88352-11-8 2-S-Methyl-1-phenyl-5-(2-pyridyl)isodithiobiuret 
• 113576-62-8 N-(2'-pyridinyl)benzoylthioacetamide 
• 88352-20-9 2-S-Methyl-1-(3-chlorophenyl)-5-(2-pyridyl)isodithiobiuret 
• 88352-13-0 2-S-Methyl-1-(4-methylphenyl)-5-(2-pyridyl)isodithiobiuret 
• 88352-19-6 2-S-Methyl-1-(2-chlorophenyl)-5-(2-pyridyl)isodithiobiuret 
• 88352-21-0 2-S-Methyl-1-(4-chlorophenyl)-5-(2-pyridyl)isodithiobiuret 
• 88352-14-1 2-S-Methyl-1-(4-ethylphenyl)-5-(2-pyridyl)isodithiobiuret 
• 80913-43-5 3-(3-Chloro-phenyl)-2-thioxo-2,3-dihydro-pyrido[1,2-a][1,3,5]triazin-4-one 
• 886-60-2 1-(2'-pyridyl)-3-phenylthiourea 
• 80913-51-5 3,4-Diphenyl-3,4-dihydro-pyrido[1,2-a][1,3,5]triazine-2-thione 

Relevant articles and documents

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N-aryl-2-aminobenzimidazoles: Novel, efficacious, antimalarial lead compounds

From the phenotypic screening of the AstraZeneca corporate compound collection, N-aryl-2-aminobenzimidazoles have emerged as novel hits against the asexual blood stage of Plasmodium falciparum (Pf). Medicinal chemistry optimization of the potency against Pf and ADME properties resulted in the identification of 12 as a lead molecule. Compound 12 was efficacious in the P. berghei (Pb) model of malaria. This compound displayed an excellent pharmacokinetic profile with a long half-life (19 h) in rat blood. This profile led to an extended survival of animals for over 30 days following a dose of 50 mg/kg in the Pb malaria model. Compound 12 retains its potency against a panel of Pf isolates with known mechanisms of resistance. The fast killing observed in the in vitro parasite reduction ratio (PRR) assay coupled with the extended survival highlights the promise of this novel chemical class for the treatment of malaria.

Structure-activity relationships (SAR) research of thiourea derivatives as dual inhibitors targeting both HIV-1 capsid and human cyclophilin A

HIV-1 capsid (CA) and human cyclophilin A (CypA) play important roles in HIV-1 assembly and disassembly processes, which are critical in HIV-1 replication. Based on the discovery of thiourea derivatives targeting both of the two proteins and indicating effective inhibitory activities in our group, we designed and synthesized a new class of thiourea derivatives. Their abilities to bind to capsid and cyclophilin A were determined by ultraviolet spectroscopic analysis, fluorescence binding affinity, and PPIase inhibition assay. Furthermore, the newly synthesized compounds were tested for their antiviral activities and cytotoxicities using CEM cells. According to the biological evaluation and subsequent molecular docking analyses, we studied the structure-activity relationships of thiourea derivatives. Three optimal compounds (K17, K24, K25) based on the achieved structure-activity relationships would be the basis for future optimization.