Valopicitabine

Category	Hepatitis C Virus (HCV)
CAS	640281-90-9
Description	Valopicitabine is a nucleoside analogue and the orally bioavailable 2'-C-methylcytidine (NM107) prodrug, with anti-hepatitis C virus (HCV) activity.

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Synonyms	NM283; 2'-C-methylcytidine 3'-O-L-valinyl ester; 2'-C-Methyl-3'-O-valylcytidine; [(2R,3R,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)-4-methyl-tetrahydrofuran-3-yl] (2S)-2-amino-3-methyl-butanoate; Cytidine, 3'-O-[(2S)-2-amino-3-methyl-1-oxobutyl]-2'-C-methyl-
IUPAC Name	[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)-4-methyloxolan-3-yl] (2S)-2-amino-3-methylbutanoate
Molecular Weight	356.37
Molecular Formula	C15H24N4O6
Canonical SMILES	CC(C)C(C(=O)OC1C(OC(C1(C)O)N2C=CC(=NC2=O)N)CO)N
InChI	InChI=1S/C15H24N4O6/c1-7(2)10(17)12(21)25-11-8(6-20)24-13(15(11,3)23)19-5-4-9(16)18-14(19)22/h4-5,7-8,10-11,13,20,23H,6,17H2,1-3H3,(H2,16,18,22)/t8-,10+,11-,13-,15-/m1/s1
InChIKey	TVRCRTJYMVTEFS-ICGCPXGVSA-N
Boiling Point	548.4±60.0°C (Predicted)
Purity	≥95%
Density	1.54±0.1 g/cm3 (Predicted)
Solubility	Soluble in DMSO
Appearance	Solid powder
Storage	Store at -20°C
Complexity	607
Exact Mass	356.16958450
In Vivo	Valopicitabine (NM 283) has potent antiviral activity against chronic hepatitis C virus genotype-1 in the chimpanzee. Valopicitabine exhibits moderate Cmax (3.62 ug/mL) and terminal elimination half-lives (T1/2 0.64 h) following oral administration (100 mg/kg) in Sprague-Dawley rats.
PSA	162.92000
Target	HCV
XLogP3-AA	-2