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VX-148

CAT: 0931-T202910-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T202910-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
297730-05-3
Bioactivity
VX-148 is a novel, non-competitive IMPDH inhibitor with a K (i) value of 6 nM for IMPDH Type II enzyme. It is slightly more effective than mycophenolic acid and VX-497 in inhibiting the proliferation of primary human lymphocytes (IC (50) approximately 80 nM) . The presence of exogenous guanosine can mitigate VX-148's inhibitory activity. Notably, VX-148 does not impede the proliferation of non-lymphocyte types such as fibroblasts, indicating selective inhibition of IMPDH activity. The compound exhibits oral bioavailability in rats and mice; oral administration of VX-148 inhibits the primary antibody response in mice in a dose-dependent manner, with an ED (50) of 38 mg/kg b.i.d. Additionally, in mice, VX-148 at a dosage of 100 mg/kg b.i.d. significantly prolongs skin graft survival time.
Smiles
N(C(NC1=CC([C@@H](NC(O[C@@H](CC#N)CC)=O)C)=CC=C1)=O)C2=CC(OC)=C(C#N)C=C2
Molecular Formula
C23H25N5O4
Molecular Weight
435.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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