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Merimepodib

CAT: 0013-GTR19172286-03Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19172286-03Size:1 ml x 10 mM (in DMSO)
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Description
Merimepodib (VX-497) is a potent, non-competitive inhibitor of the enzyme IMPDH, a key target in nucleotide biosynthesis. It has been utilized in research exploring antiviral and immunosuppressive mechanisms, with studies conducted both in vitro and in animal models of autoimmune and inflammatory diseases.
CAS Number
198821-22-6
Product Name Alternative
Merimepodib, HBV, HCV, HCV Protease, HCVProtease, Hepatitis B virus, Hepatitis C virus, inhibit, Inhibitor, IMPDH, MMPD, Antiviral, VI21497, VI-21497, VI 21497, VX 497, VX497, VX-497
Field of Research
Immunology & Inflammation, Infectious Disease & Virology, Metabolism Research, Protein Biochemistry
Purity
98.77% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.42 mM) ; DMSO:235 mg/mL (519.38 mM)
Smiles
COc1cc (NC (=O) Nc2cccc (CNC (=O) O[C@H]3CCOC3) c2) ccc1-c1cnco1
Molecular Formula
C23H24N4O6
Molecular Weight
452.46
Storage Conditions
-20°C
Notes
For research use only.

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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