Acyclovir L-Leucinate-[d4]

Category	Herpes simplex Virus (HSV)
CAS	1795785-74-8
Description	Acyclovir L-Leucinate-[d4] is the labelled analogue of Acyclovir L-Leucinate, which is an amino acid ester of the antiherpetic agent, Acyclovir. It is the Leucine analogue of Valacyclovir.

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Synonyms	Acyclovir-d4 L-Leucinate; L-Leucine 2-[(2-Amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy](ethyl-d4) Ester Hydrochloride; 2-((2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy)ethyl-1,1,2,2-d4 L-leucinate hydrochloride
IUPAC Name	[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-1,1,2,2-tetradeuterioethyl] (2S)-2-amino-4-methylpentanoate;hydrochloride
Molecular Weight	378.85
Molecular Formula	C14H19D4ClN6O4
Canonical SMILES	CC(C)CC(C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)N.Cl
InChI	InChI=1S/C14H22N6O4.ClH/c1-8(2)5-9(15)13(22)24-4-3-23-7-20-6-17-10-11(20)18-14(16)19-12(10)21;/h6,8-9H,3-5,7,15H2,1-2H3,(H3,16,18,19,21);1H/t9-;/m0./s1/i3D2,4D2;
InChIKey	JPMIOIPFRXOSEP-QMLHMQFRSA-N
Purity	≥98%
Solubility	Soluble in DMSO (Slightly), Water (Slightly)
Appearance	White to Off-white Solid
Storage	Store at -20°C under inert atmosphere
Complexity	498
Exact Mass	378.1720379
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	HSV; Bacterial; Apoptosis; Antibiotic