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Valganciclovir HCl

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Category Cytomegalovirus (CMV)
CAS 175865-59-5
Description Valganciclovir hydrochloride hydrate is an antiviral used to treat cytomegalovirus infection. It is the prodrug of ganciclovir, a synthetic analog of 2'-deoxy-guanosine which is phosphorylated to a dGTP analog that competitively inhibits the incorporation of dGTP by viral DNA polymerase.
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Product Information

Synonyms RS 079070-194; Ro 107-9070/194; Valcyte; (S)-Valganciclovir Hydrochloride
IUPAC Name [2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hydroxypropyl] (2S)-2-amino-3-methylbutanoate;hydrochloride
Molecular Weight 390.82
Molecular Formula C14H23ClN6O5
Canonical SMILES CC(C)C(C(=O)OCC(CO)OCN1C=NC2=C1NC(=NC2=O)N)N.Cl
InChI InChI=1S/C14H22N6O5.ClH/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22;/h5,7-9,21H,3-4,6,15H2,1-2H3,(H3,16,18,19,22);1H/t8?,9-;/m0./s1
InChIKey ZORWARFPXPVJLW-MTFPJWTKSA-N
Boiling Point 629.1°C at 760 mmHg
Melting Point 162-164°C (dec.)
Purity >98%
Solubility In vitro:
10 mM in DMSO
Appearance White Solid
Storage Powder:
3 years -20°C
In solvent:
2 years -80°C
Complexity 528
Exact Mass 390.1418455
In Vitro Valacyclovir hydrochloride (Valaciclovir hydrochloride; VACV) uptake was concentration dependent and saturable with a Michaelis-Menten constant and maximum velocity of 1.64 mM and 23.34 nmol/mg protein/5 min, respectively. A very similar Km value was obtained in hPEPT1/CHO cells and in rat and rabbit tissues and Caco-2 cells, suggesting that hPEPT1 dominates the intestinal transport properties of VACV in vitro.
In Vivo Valacyclovir hydrochloride (Valaciclovir hydrochloride; VACV) uptake was concentration dependent and saturable with a Michaelis-Menten constant and maximum velocity of 1.64 mM and 23.34 nmol/mg protein/5 min, respectively. A very similar Km value was obtained in hPEPT1/CHO cells and in rat and rabbit tissues and Caco-2 cells, suggesting that hPEPT1 dominates the intestinal transport properties of VACV in vitro.
PSA 171.37000
Target CMV
Vapor Pressure 1.08E-16mmHg at 25°C

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