DPC-681

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

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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°C for short term (days to weeks) or -27°C 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