CAS 1331910-75-8

<span class="text-smallcaps">L</span>-Valine, 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl-1,1,2,2-d₄ ester, hydrochloride (1:1)

Description:

L-Valine, 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl-1,1,2,2-d4 ester, hydrochloride (1:1) is a chemical compound that features a complex structure combining elements of both amino acids and purine derivatives. As a derivative of L-valine, it retains the essential characteristics of this branched-chain amino acid, which is crucial for protein synthesis and metabolic processes. The presence of the purine moiety suggests potential applications in biochemistry, particularly in the context of nucleic acid metabolism or as a building block for more complex biomolecules. The deuterated form (indicated by "d4") implies that it contains four deuterium atoms, which can be useful in studies involving isotopic labeling for tracing metabolic pathways or in NMR spectroscopy. The hydrochloride salt form enhances its solubility in aqueous solutions, making it suitable for various laboratory applications. Overall, this compound may be of interest in pharmaceutical research, particularly in the development of drugs targeting metabolic disorders or in studies of protein interactions.

Formula: C₁₃H₁₇ClD₄N₆O₄

InChI: InChI=1S/C13H20N6O4.ClH/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20;/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20);1H/t8-;/m0./s1/i3D2,4D2;

InChI key: InChIKey=ZCDDBUOENGJMLV-SRNSESIXSA-N

SMILES: C(OC(C(OC([C@H](C(C)C)N)=O)([2H])[2H])([2H])[2H])N1C2=C(N=C1)C(=O)N=C(N)N2.Cl

Synonyms:

• [2-[(2-Amino-6-oxo-1H-purin-9-yl)methoxy]-1,1,2,2-tetradeuterioethyl] (2S)-2-amino-3-methylbutanoate hydrochloride
• L-Valine, 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl-1,1,2,2-d4 ester, hydrochloride (1:1)
• ZCDDBUOENGJMLV-SRNSESIXSA-N
• Valacyclovir D4 Hydrochloride Q: What is the CAS Number of
• [2H4]-Valacyclovir, Hydrochloride
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• Valacyclovir D4 Hydrochloride

Valacyclovir-d4, Hydrochloride

Controlled Product

CAS: 1331910-75-8

Applications The Labelled L-Valine ester prodrug of Acyclovir.
References Beauchamp, L.M., et al.: Antiviral Chem. Chemother., 3, 157 (1992), Weller, S., et al.: Clin. Pharmacol. Ther., 54, 595 (1996), Lowance, D., et al.: N. Engl. J. Med., 340, 1462 (1999),

Formula: C₁₃H₁₇D₄ClN₆O₄

Color and Shape: Neat

Molecular weight: 364.82

Ref: TR-V085002