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900701-83-9

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900701-83-9 Structure

900701-83-9 Structure
IdentificationBack Directory
[Name]

1-((2-CHLOROPHENYL)METHYL)-3-(4-NITROPHENYL)THIOUREA
[CAS]

900701-83-9
[Synonyms]

InhA-IN-3
1-((2-CHLOROPHENYL)METHYL)-3-(4-NITROPHENYL)THIOUREA
Thiourea, N-[(2-chlorophenyl)methyl]-N'-(4-nitrophenyl)-
[Molecular Formula]

C14H12ClN3O2S
[MDL Number]

MFCD04154139
[MOL File]

900701-83-9.mol
[Molecular Weight]

321.78
Chemical PropertiesBack Directory
[Boiling point ]

478.3±55.0 °C(Predicted)
[density ]

1.438±0.06 g/cm3(Predicted)
[pka]

11.07±0.70(Predicted)
Hazard InformationBack Directory
[Uses]

InhA-IN-3 (Compound TU12) is a Mycobacterium tuberculosis InhA (an enoyl ACP-reductase) inhibitor with an IC50 of 17.7 μM[1].
[References]

[1] Do?an ?D, et al. Design and synthesis of thiourea-based derivatives as Mycobacterium tuberculosis growth and enoyl acyl carrier protein reductase (InhA) inhibitors. Eur J Med Chem. 2020 Aug 1;199:112402. DOI:10.1016/j.ejmech.2020.112402
Spectrum DetailBack Directory
[Spectrum Detail]

1-((2-CHLOROPHENYL)METHYL)-3-(4-NITROPHENYL)THIOUREA(900701-83-9)1HNMR
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