| Identification | Back Directory | [Name]
Benzenesulfonic acid, 2-methyl-, 4-[7-(aminocarbonyl)-1H-benzimidazol-2-yl]-2-bromo-6-methoxyphenyl ester | [CAS]
2976497-48-8 | [Synonyms]
Benzenesulfonic acid, 2-methyl-, 4-[7-(aminocarbonyl)-1H-benzimidazol-2-yl]-2-bromo-6-methoxyphenyl ester | [Molecular Formula]
C22H18BrN3O5S | [MOL File]
2976497-48-8.mol | [Molecular Weight]
516.37 |
| Chemical Properties | Back Directory | [Boiling point ]
785.7±70.0 °C(predicted) | [density ]
1.568±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted) | [pka]
9.09±0.30(predicted) |
| Hazard Information | Back Directory | [Uses]
PARP-1-IN-23 (Compound I16 ) is an orally active and selective PARP-1 inhibitor with the IC50 of 12.38 nM. PARP-1-IN-23 inhibits tumor growth in vivo[1]. | [IC 50]
PARP-1: 12.38 nM (IC50) | [References]
[1] Zhang Y, et al. Design of Selective PARP-1 Inhibitors and Antitumor Studies. J Med Chem. 2024;67(11):8877-8901. DOI:10.1021/acs.jmedchem.3c02460 |
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