Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C23H25N5O4 |
Molecular Weight | 435.4757 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC[C@H](CC#N)OC(=O)N[C@@H](C)C1=CC=CC(NC(=O)NC2=CC(OC)=C(C=C2)C#N)=C1
InChI
InChIKey=PJFQWSNOXLEDDZ-MGPUTAFESA-N
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
Molecular Formula | C23H25N5O4 |
Molecular Weight | 435.4757 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:37:32 GMT 2023
by
admin
on
Sat Dec 16 10:37:32 GMT 2023
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Record UNII |
NH18RV17NU
|
Record Status |
Validated (UNII)
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Record Version |
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-
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DB06103
Created by
admin on Sat Dec 16 10:37:32 GMT 2023 , Edited by admin on Sat Dec 16 10:37:32 GMT 2023
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297730-05-3
Created by
admin on Sat Dec 16 10:37:32 GMT 2023 , Edited by admin on Sat Dec 16 10:37:32 GMT 2023
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NH18RV17NU
Created by
admin on Sat Dec 16 10:37:32 GMT 2023 , Edited by admin on Sat Dec 16 10:37:32 GMT 2023
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9845837
Created by
admin on Sat Dec 16 10:37:32 GMT 2023 , Edited by admin on Sat Dec 16 10:37:32 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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ACTIVE MOIETY |
VX-148 is a novel, uncompetitive IMPDH inhibitor with a Ki value of 6 nM against IMPDH type II
enzyme. VX-148 is orally bioavailable in rats and mice; oral administration of VX-148 inhibits primary antibody response in mice in a dose-dependent manner with an ED50 value of 38 mg/kg b.i.d. VX-148 significantly prolongs skin graft survival at 100 mg/kg b.i.d. in mice.
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ACTIVE MOIETY |
VX-148 is a potent inhibitor of inosine monophosphate dehydrogenase (IMPDH), a cellular enzyme that is essential for production of guanine nucleotides, one of the building blocks of RNA and DNA. Blocking IMPDH may be an effective strategy for blocking the proliferation (growth) of certain cell types, such as lymphocytes, and the replication of viruses, since both lymphocytes and viruses depend on nucleotide synthesis for replication.
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