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Merimepodib

CAT: 0957-S6689-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-S6689-01Size:5 mg
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Description
Merimepodib (Merimempodib, MMPD, VI-21,497, VX-497) is a potent, specific, and reversible inosine monophosphate dehydrogenase (IMPDH) inhibitor with antiviral activity against hepatitis C virus (HCV) and a variety of DNA and RNA viruses in vitro.Merimepodib is an immunosuppressive agent.
CAS Number
198821-22-6
Synonyms
Merimempodib; MMPD; VI-21,497; VX-497
Target
Dehydrogenase
Activity
Metabolism
Molecular Formula
C23H24N4O6
Storage Conditions
3 years -20°C powder

Chemical Information

Merimepodib

Merimepodib (VX-497) is a novel noncompetitive inhibitor of IMPDH. Merimepodib is orally bioavailable and inhibits the proliferation of primary human, mouse, rat, and dog lymphocytes at concentrations of approximately 100 nM.

CAS Number198821-22-6
PubChem CID153241
IUPAC Name[(3S)-oxolan-3-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
Molecular FormulaC23H24N4O6
Molecular Weight452.5
XLogP2.1
Topological Polar Surface Area124
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity652
SMILES
COC1=C(C=CC(=C1)NC(=O)NC2=CC=CC(=C2)CNC(=O)O[C@H]3CCOC3)C4=CN=CO4
InChI
InChI=1S/C23H24N4O6/c1-30-20-10-17(5-6-19(20)21-12-24-14-32-21)27-22(28)26-16-4-2-3-15(9-16)11-25-23(29)33-18-7-8-31-13-18/h2-6,9-10,12,14,18H,7-8,11,13H2,1H3,(H,25,29)(H2,26,27,28)/t18-/m0/s1
InChIKey
JBPUGFODGPKTDW-SFHVURJKSA-N
Chemical Structure
2D Structure
2D structure of Merimepodib
CAS: 198821-22-6
CID: 153241
Formula: C23H24N4O6
MW: 452.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight452.5
XLogP32.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass452.16958450
Monoisotopic Mass452.16958450
Topological Polar Surface Area124 Ų
Heavy Atom Count33
Formal Charge0
Complexity652
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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