≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
DPC-681 is a potent and selective inhibitor of HIV protease with IC90s for wild-type HIV-1 of 4 to 40 nM.IC50 value: 4 - 40 nM Target: HIV protease 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: The total body clearance (CL) of DPC 681 in 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.
Form:Solid
IC50& Target:HIV-1
| 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 |
|---|---|
| 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 |
| InChIKey | BHPRDABYBCABNU-NCNGZOBXSA-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 |
| Isomeric SMILES | CC(C)CN(CC([C@H](CC1=CC=CC=C1)N(CC2=CC(=CC=C2)F)[C@@H](C(=O)NC(=O)CN)C(C)(C)C)O)S(=O)(=O)C3=CC=CC(=C3)N |
| Alternate CAS | 284661-68-3 |
| PubChem CID | 3083536 |
| MeSH Entry Terms | DPC 681 |
| Molecular Weight | 669.85 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Valine and derivatives |
| Alternative Parents | Alpha amino acid amides Aminobenzenesulfonamides Phenylbutylamines Amphetamines and derivatives Benzenesulfonyl compounds Phenylmethylamines Aniline and substituted anilines Benzylamines Aralkylamines Fluorobenzenes Aryl fluorides Organosulfonamides N-acyl amines Dicarboximides N-unsubstituted carboxylic acid imides Aminosulfonyl compounds Trialkylamines 1,2-aminoalcohols Secondary alcohols Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides Monoalkylamines |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Valine or derivatives - Alpha-amino acid amide - Aminobenzenesulfonamide - Phenylbutylamine - Amphetamine or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Phenylmethylamine - Benzylamine - Aniline or substituted anilines - Halobenzene - Fluorobenzene - Aralkylamine - Aryl halide - Monocyclic benzene moiety - Organosulfonic acid amide - N-acyl-amine - Aryl fluoride - Benzenoid - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid imide, n-unsubstituted - Carboxylic acid imide - Dicarboximide - Aminosulfonyl compound - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Organooxygen compound - Organosulfur compound - Carbonyl group - Primary amine - Amine - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organofluoride - Primary aliphatic amine - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | Not available |
| Solubility | DMSO : 100 mg/mL (149.29 mM; Need ultrasonic) |
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