2531281-25-9
Chemical Structure
CYP3A4 enzyme-IN-1
- CAS No.: 2531281-25-9
- Formula:C41H58N8O7
- Molecular Weight:774.95
IUPAC Name: (3aR,4R,5R,7S,8S,9R,9aS,12R)-8-hydroxy-4,7,9,12-tetramethyl-3-oxo-7-vinyldecahydro-4,9a-propanocyclopenta[8]annulen-5-yl 2-(4-(2-(4-((4-(4-nitrophenyl)piperazin-1-yl)methyl)-1H-1,2,3-triazol-1-yl)acetyl)piperazin-1-yl)acetate
InChIKey: JRBSUMLQFLOBAJ-UBPXHQLISA-N
SMILES: C[C@@H]1[C@]23[C@](C(CC3)=O)([H])[C@]([C@@H](C[C@](C)([C@H]1O)C=C)OC(CN4CCN(CC4)C(CN5C=C(N=N5)CN6CCN(C7=CC=C(C=C7)[N+]([O-])=O)CC6)=O)=O)([C@@H](CC2)C)C
Biological Activity: CYP3A4 enzyme-IN-1 (compound 59) is a potent antibacterial agent, with a MIC of 1 μg/mL for MRSA. CYP3A4 enzyme-IN-1 exhibits low to moderate inhibitory effects on CYP1A2, CYP2E1, CYP2D6, and CYP3A4 enzymes[1].
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CYP3A4 enzyme-IN-1 | CYP3A4 enzyme-IN-1 (compound 59) is a potent antibacterial agent, with a MIC of 1 μg/mL for MRSA. CYP3A4 enzyme-IN-1 exhibits low to moderate inhibitory effects on CYP1A2, CYP2E1, CYP2D6, and CYP3A4 enzymes. | |||||||||||||||||||||
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