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VX-148

CAT: 1410-M13909Size: 1 EachDry Ice: NoHazardous: No
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Description
VX-148 is a potent, uncompetitive, orally bioavailable IMPDH inhibitor with Ki of 6 nM against IMPDH type II enzyme.
CAS Number
297730-05-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
435.48
Molecular Formula
C23H25N5O4
Notes
Research use only, not for human use.
Receptor
IMPDH

Chemical Information

VX-148

VX-148 is a second-generation, orally administered inhibitor of inosine monophosphate dehydrogenase (IMPDH). The IMPDH enzyme plays a key role in regulating immune response and proliferation of specific cell types, including lymphocytes. VX-148 is a developed for the treatment of autoimmune diseases.

CAS Number297730-05-3
PubChem CID9845837
IUPAC Name[(2R)-1-cyanobutan-2-yl] N-[(1S)-1-[3-[(4-cyano-3-methoxyphenyl)carbamoylamino]phenyl]ethyl]carbamate
Molecular FormulaC23H25N5O4
Molecular Weight435.5
XLogP2.7
Topological Polar Surface Area136
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity726
SMILES
CC[C@H](CC#N)OC(=O)N[C@@H](C)C1=CC(=CC=C1)NC(=O)NC2=CC(=C(C=C2)C#N)OC
InChI
InChI=1S/C23H25N5O4/c1-4-20(10-11-24)32-23(30)26-15(2)16-6-5-7-18(12-16)27-22(29)28-19-9-8-17(14-25)21(13-19)31-3/h5-9,12-13,15,20H,4,10H2,1-3H3,(H,26,30)(H2,27,28,29)/t15-,20+/m0/s1
InChIKey
PJFQWSNOXLEDDZ-MGPUTAFESA-N
Chemical Structure
2D Structure
2D structure of VX-148
CAS: 297730-05-3
CID: 9845837
Formula: C23H25N5O4
MW: 435.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight435.5
XLogP32.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass435.19065430
Monoisotopic Mass435.19065430
Topological Polar Surface Area136 Ų
Heavy Atom Count32
Formal Charge0
Complexity726
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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