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Valacyclovir

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Category Herpes simplex Virus (HSV)
CAS 124832-26-4
Description Valaciclovir is an antiviral drug used in the management of herpes simplex, herpes zoster, and herpes B.
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Product Information

Synonyms Valaciclovir; Valtrex
IUPAC Name 2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate
Molecular Weight 324.34
Molecular Formula C13H20N6O4
Canonical SMILES CC(C)C(C(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)N
InChI InChI=1S/C13H20N6O4/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)/t8-/m0/s1
InChIKey HDOVUKNUBWVHOX-QMMMGPOBSA-N
Melting Point 170-172
Flash Point 309.7°C
Purity >98%
Density 1.5±0.1 g/cm3
Solubility In Vitro:
10 mM in DMSO
Appearance Solid powder
Application Antiviral agents
Storage Store at -20°C
Complexity 483
Exact Mass 324.15460314
Index Of Refraction 1.673
In Vitro VACV uptake was concentration dependent and saturable with a Michaelis-Menten constant and maximum velocity of 1.64 +/- 0.06 mM and 23.34 +/- 0.36 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 For treatment of a first episode of genital herpes, valacyclovir (1 g twice a day) is as effective as acyclovir (200 mg five times a day) when given for 10 days. For treating recurrences, valacyclovir is as effective as acyclovir (200 mg five times a day) with a treatment period of 5 days.
PSA 151.14000
Target HSV infection, IC50 Value: 2.9 microg/ml (for HSV-1)
XLogP3-AA -0.9

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