| Identification | Back Directory | [Name]
[1,1'-Biphenyl]-4-acetic acid, 3-(3,4-dihydro-5-methyl-2H-1-benzopyran-6-yl)-α-(1,1-dimethylethoxy)-2,3',4',5-tetramethyl-6-[(methylsulfonyl)amino]- | [CAS]
1431738-14-5 | [Synonyms]
Integrase-LEDGF/p75 allosteric inhibitor 1
1,1'-Biphenyl]-4-acetic acid, 3-(3,4-dihydro-5-methyl-2H-1-benzopyran-6-yl)-α-(1,1-dimethylethoxy)-2,3',4',5-tetramethyl-6-[(methylsulfonyl)amino]-
[1,1'-Biphenyl]-4-acetic acid, 3-(3,4-dihydro-5-methyl-2H-1-benzopyran-6-yl)-α-(1,1-dimethylethoxy)-2,3',4',5-tetramethyl-6-[(methylsulfonyl)amino]- | [Molecular Formula]
C33H41NO6S | [MOL File]
1431738-14-5.mol | [Molecular Weight]
579.75 |
| Hazard Information | Back Directory | [Uses]
Integrase-LEDGF/p75 allosteric inhibitor 1 (Compound 31h) is an orally active integrase-LEDGF/p75 (IN-LEDGF/p75) allosteric inhibitor. Integrase-LEDGF/p75 allosteric inhibitor 1 inhibits HIV-1 DNA integration and shows antiviral activity with an EC50 of 3.9 nM against HIV-1 recombinant molecular clone NL432[1]. | [in vivo]
Integrase-LEDGF/p75 allosteric inhibitor 1 (Compound 31h) has moderate metabolic stability (HLM MS = 59%, RLM MS = 61%), exhibits good clearance (CLt = 6.99 mL/min/kg) and good bioavailability (F = 36%) in rats[1]. | [References]
[1] Sugiyama S, et al. Discovery of novel integrase-LEDGF/p75 allosteric inhibitors based on a benzene scaffold. Bioorg Med Chem. 2020 Sep 1;28(17):115643. DOI:10.1016/j.bmc.2020.115643 |
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