VX-148
Grundinformationen
- CAS
297730-05-3- Standard-SMILES
CC[C@H](CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(C#N)c(OC)c2)c1- InChIKey
PJFQWSNOXLEDDZ-MGPUTAFESA-N- Summenformel
- C23H25N5O4
- Durchschnittliche Molmasse
- 435,5 g/mol
- Monoisotopische Masse
- 435,1906543
Überblick
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.
Namen und Bezeichner
- Bevorzugter Name
- VX-148
- IUPAC
- [(2R)-1-cyanobutan-2-yl] N-[(1S)-1-[3-[(4-cyano-3-methoxyphenyl)carbamoylamino]phenyl]ethyl]carbamate
Namen und Synonyme
VX-148297730-05-3NH18RV17NUVX148RefChem:194708UNII-NH18RV17NU(R)-1-cyanobutan-2-yl ((S)-1-(3-(3-(4-cyano-3-methoxyphenyl)ureido)phenyl)ethyl)carbamate((1R)-1-(Cyanomethyl)propyl) N-((1S)-1-(3-((4-cyano-3-methoxy-phenyl)carbamoylamino)phenyl)ethyl)carbamateCarbamic acid, N-((1S)-1-(3-((((4-cyano-3-methoxyphenyl)amino)carbonyl)amino)phenyl)ethyl)-, (1R)-1-(cyanomethyl)propyl ester[(2R)-1-Cyanobutan-2-yl] N-[(1S)-1-[3-[(4-cyano-3-methoxyphenyl)carbamoylamino]phenyl]ethyl]carbamateorb2814803SCHEMBL12300088
Weitere Namen anzeigen
T202910
Datenbank-Bezeichner
- CAS
297730-05-3- PubChem CID
- 9845837
- UNII
- NH18RV17NU
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 136 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 32
- Formalladung
- 0
- Komplexität
- 726
Chemie und Industrie
Pharmakologische Informationen
Mechanism of Action
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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