Valopicitabine

CAT: 0013-GTR19205390-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19205390-02Size:50 mg

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Description

Valopicitabine

CAS Number

640281-90-9

Field of Research

Cell Biology, Infectious Disease & Virology, Molecular Biology, Protein Biochemistry

Smiles

C[C@]1 (O) [C@@H] (O[C@H] (CO) [C@H]1OC ([C@H] (C (C) C) N) =O) N2C (=O) N=C (N) C=C2

Molecular Formula

C15H24N4O6

Molecular Weight

356.37

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Valopicitabine

The 3-O-valine ester prodrug of the nucleoside analog 2'-C-methylcytidine with anti-hepatitis C virus (HCV) activity. Upon administration, valopicitabine is converted into 2'-C-methylcytidine; upon phosphorylation into its 5-triphosphate form, this metabolite inhibits viral RNA chain elongation and viral RNA-dependent RNA polymerase activity. This blocks viral production of HCV RNA and thus viral replication. [from NCI]

CAS Number	640281-90-9
PubChem CID	6918726
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 Formula	C15H24N4O6
Molecular Weight	356.37
XLogP	-2
Topological Polar Surface Area	161
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	25
Formal Charge	0
Complexity	607

SMILES

CC(C)[C@@H](C(=O)O[C@@H]1[C@H](O[C@H]([C@]1(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

Chemical Structure

2D Structure

CAS: 640281-90-9

CID: 6918726

Formula: C15H24N4O6

MW: 356.37

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	356.37
XLogP3	-2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	356.16958450
Monoisotopic Mass	356.16958450
Topological Polar Surface Area	161 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	607
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
NV35082-01	Valopicitabine
HY-108060A-01	Valopicitabine (dihydrochloride)
T29094-01	Valopicitabine dihydrochloride

Valopicitabine

Chemical Information

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