Amprenavir-[d4]

Category	HIV Protease
CAS	1217661-20-5
Description	Amprenavir-[d4] is a labelled analogue of Amprenavir. Amprenavir promotes the specific interactions between the nuclear receptor pregnane X receptor (PXR) and the coactivators SRC-1 and PBP.

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Synonyms	Amprenavir-d4
IUPAC Name	[(3S)-2,2,5,5-tetradeuteriooxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Molecular Weight	509.65
Molecular Formula	C25H31D4N3O6S
Canonical SMILES	CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2CCOC2)O)S(=O)(=O)C3=CC=C(C=C3)N
InChI	InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1/i13D2,17D2
InChIKey	YMARZQAQMVYCKC-OZXFPYGFSA-N
Melting Point	78-82°C
Purity	95% by HPLC; 95% atom D
Solubility	Soluble in Acetontrile, Chloroform, Methanol
Appearance	Off-white to Pale Yellow Solid
Storage	Store at -20°C
Complexity	745
Exact Mass	509.24976400
In Vitro	Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and Metabolic profiles of drugs.
Target	HIV; HIV Protease; SARS-CoV
XLogP3-AA	2.9