CAS 502421-45-6

L-Valine, 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl ester, hydrochloride, hydrate (1:1:2)

Description:

L-Valine, 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl ester, hydrochloride, hydrate (1:1:2) is a chemical compound characterized by its complex structure, which includes an amino acid (L-Valine) linked to a purine derivative. This compound typically appears as a white to off-white crystalline solid and is soluble in water due to the presence of the hydrochloride and hydrate forms, which enhance its solubility. The presence of the purine moiety suggests potential biological activity, possibly related to nucleic acid metabolism or signaling pathways. As a hydrochloride salt, it is likely to exhibit stability under standard laboratory conditions, although it should be stored in a cool, dry place to prevent degradation. The compound may be utilized in biochemical research, particularly in studies involving amino acids and their derivatives, as well as in pharmacological applications due to its potential interactions with biological systems. Safety data should be consulted for handling and usage, as with all chemical substances.

Formula: C₁₃H₂₀N₆O₄·ClH·2H₂O

InChI: InChI=1S/C13H20N6O4.ClH.2H2O/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;2*1H2/t8-;;;/m0.../s1

InChI key: InChIKey=QMVFKSCLPIIINF-CZDIJEQGSA-N

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

Synonyms:

• L-Valine, 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl ester, monohydrochloride, dihydrate
• Valaciclovir hydrochloride dihydrate
• L-Valine, 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl ester, hydrochloride, hydrate (1:1:2)
• Valacyclovir hydrochloride dihydrate

Valacyclovir hydrochloride dihydrate

CAS: 502421-45-6

Valacyclovir hydrochloride is an analog of the antiviral drug acyclovir that is used to treat herpes simplex virus infections. However, recent studies have shown that it may also have potential as an anticancer agent. Valacyclovir hydrochloride has been found to inhibit protein kinases, which are enzymes that play a key role in tumor growth and progression. In particular, it has been shown to inhibit the activity of several kinases involved in cancer cell proliferation and survival. This inhibition leads to apoptosis, or programmed cell death, which can help slow or stop tumor growth. Valacyclovir hydrochloride has also been studied for its medicinal properties in Chinese traditional medicine, where it is believed to have anti-inflammatory and immune-boosting effects. Additionally, valacyclovir hydrochloride is excreted unchanged in urine and may act as a potent inhibitor of viral DNA polymerase in humans.

Formula: C₁₃H₂₀N₆O₄•HCl•(H₂O)₂

Purity: Min. 95%

Molecular weight: 396.83 g/mol

Ref: 3D-CVA42145