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Antiviral API
- Arenavirus
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- Human immunodeficiency Virus (HIV)
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DPC-681
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| Category | HIV Integrase |
| CAS | 284661-68-3 |
| Description | DPC-681, sulfonamide derivatives, is an extremely potent and selective inhibitor of HIV protease. IC90s: wild-type HIV-1=4-40 nM |
Product Information
| Synonyms | DPC 681; DPC-681; DPC681; DPH 153893; DPH-153893; DPH153893; (2R)-N-(2-aminoacetyl)-2-[[(2S)-4-[(3-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-[(3-fluorophenyl)methyl]amino]-3,3-dimethylbutanamide284661-68-3AM021737N-((3-Fluorophenyl)methyl)glycyl-N-((1S,2R)-3-(((3-aminophenyl)sulfo |
| IUPAC Name | (2R)-N-(2-aminoacetyl)-2-[[(2S)-4-[(3-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-[(3-fluorophenyl)methyl]amino]-3,3-dimethylbutanamide |
| Molecular Weight | 669.857 |
| Molecular Formula | C35H48FN5O5S |
| Canonical SMILES | CC(C)CN(CC(C(CC1=CC=CC=C1)N(CC2=CC(=CC=C2)F)C(C(=O)NC(=O)CN)C(C)(C)C)O)S(=O)(=O)C3=CC=CC(=C3)N |
| InChI | 1S/C35H48FN5O5S/c1-24(2)21-40(47(45,46)29-16-10-15-28(38)19-29)23-31(42)30(18-25-11-7-6-8-12-25)41(22-26-13-9-14-27(36)17-26)33(35(3,4)5)34(44)39-32(43)20-37/h6-17,19,24,30-31,33,42H,18,20-23,37-38H2,1-5H3,(H,39,43,44)/t30-,31?,33-/m0/s1 |
| InChIKey | BHPRDABYBCABNU-NCNGZOBXSA-N |
| Purity | 99.89% |
| Density | 1.217±0.06 g/cm3 |
| Solubility | Soluble in DMSO |
| Appearance | Solid powder |
| Shelf Life | 2 years |
| Storage | Store in a cool and dry place and at 0 - 4℃ for short term (days to weeks) or -27℃ for long term (months to years). |
| Complexity | 1080 |
| Exact Mass | 669.33601898 |
| In Vitro | DPC 681 is extremely potent inhibitor of wild-type HIV-1. When all of the HIV-1 strains tested are considered, the average concentrations required for 90% inhibition of replication were 7.3 ± 3.4 for DPC 681. DPC 681 shows no loss in potency toward recombinant mutant HIVs with the D30N mutation and a fivefold or smaller loss in potency toward mutant variants with three to five amino acid substitutions. |
| In Vivo | Dogs was high (1.8 liter/h/kg) equaling hepatic blood flow for this species (1.8 liter/h/kg). After an oral dosing, the Cmax increased ninefold between the 10- and 30-mg/kg DPC 681 dose groups. Bioavailability also increased between the 10- and 30-mg/kg dose groups (18.3 and 78.1%, respectively). These data suggest that hepatic extraction (first-pass effect) can be saturated in the dog. |
| Target | HIV Protease; HIV |
| XLogP3-AA | 4.7 |
