| Identification | Back Directory | [Name]
3-Cyclohexene-1-carboxylic acid, 1-(fluoromethyl)-4-[17-[[2-[cis-1-hydroxy-4-(methylsulfonyl)cyclohexyl]ethyl]amino]-28-norlupa-2,20(29)-dien-3-yl]-, (1S)- | [CAS]
1818868-23-3 | [Synonyms]
HIV-1 inhibitor-52
3-Cyclohexene-1-carboxylic acid, 1-(fluoromethyl)-4-[17-[[2-[cis-1-hydroxy-4-(methylsulfonyl)cyclohexyl]ethyl]amino]-28-norlupa-2,20(29)-dien-3-yl]-, (1S)- | [Molecular Formula]
C46H72FNO5S | [MOL File]
1818868-23-3.mol | [Molecular Weight]
770.13 |
| Hazard Information | Back Directory | [Uses]
HIV-1 inhibitor-52 is a potent broad-spectrum HIV-1 activity inhibitor with EC50s of 1.6 nM-6.4 nM for WT HIV-1, HIV-1 V370A, HIV-1 ΔV370, HIV-1 V362I/V370A, HIV-1 T332S/V362I/prR41G, HIV-1 A326T/V362I/V370A, HIV-1 R361K/V362I/L363M[1]. | [in vivo]
HIV-1 inhibitor-52 (compound 26; 1 mg/kg; IV) has a T1/2 of 4.2 hours, a CL of 3.5 mL/min·kg, and a Vss of 0.8 L/kg for rats[1].
HIV-1 inhibitor-52 (5 mg/kg; po) has a Cmax of 0.83 μM and an AUC of 8.11 μM·h for rats[1]. | Animal Model: | Male sprague-dawley rats[1] | | Dosage: | 1 mg/kg | | Administration: | IV | | Result: | Had a T1/2 of 4.2 hours, a CL of 3.5 mL/min?kg, and a Vss of 0.8 L/kg for rats.
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| [IC 50]
HIV-1 (WT): 1.6 nM (EC50); HIV-1 V370A: 3.0 nM (EC50); HIV-1 ΔV370: 5.1 nM (EC50); HIV-1 V362I/V370A: 2.0 nM (EC50); HIV-1 T332S/V362I/prR41G: 6.4 nM (EC50); HIV-1 A326T/V362I/V370A: 4.3 nM (EC50); HIV-1 R361K/V362I/L363M: 4.5 nM (EC50) | [References]
[1] Richard A Hartz, et al. Synthesis, Structure-Activity Relationships, and?In Vivo?Evaluation of Novel C-17 Amine Derivatives Based on GSK3640254 as HIV-1 Maturation Inhibitors with Broad Spectrum Activity. J Med Chem. 2022 Dec 8;65(23):15935-15966. DOI:10.1021/acs.jmedchem.2c01618 |
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