| Identification | Back Directory | [Name]
[2,4'-Bithiazol]-2'-amine, N-(4-chlorophenyl)-4-phenyl- | [CAS]
65823-65-6 | [Synonyms]
[2,4'-Bithiazol]-2'-amine, N-(4-chlorophenyl)-4-phenyl- | [Molecular Formula]
C18H12ClN3S2 | [MOL File]
65823-65-6.mol | [Molecular Weight]
369.89 |
| Chemical Properties | Back Directory | [Melting point ]
198 °C(Solv: ethanol (64-17-5)) | [Boiling point ]
574.2±60.0 °C(Predicted) | [density ]
1.404±0.06 g/cm3(Predicted) | [pka]
1.29±0.10(Predicted) |
| Hazard Information | Back Directory | [Uses]
CYP1B1 ligand 3 (Compound A1) is a selective inhibitor for cytochrome P450 enzyme CYP1B1 with an IC50 of 11.9 nM. CYP1B1 ligand 3 can be utilized for the synthesis of PROTAC CYP1B1 degrader-2 (HY-158429)[1]. | [IC 50]
CYP1B1: 11.9 nM (IC50); CYP1A1: 278.7 nM (IC50); CYP1A2: 3913.5 nM (IC50) | [References]
[1] Yao X, et al., Development of novel N-aryl-2,4-bithiazole-2-amine-based CYP1B1 degraders for reversing drug resistance. Eur J Med Chem. 2024 Jun 5;272:116488. DOI:10.1016/j.ejmech.2024.116488 |
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