기본 정보
- CAS
297730-05-3- 표준 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- 분자식
- C23H25N5O4
- 평균 분자량
- 435.5 g/mol
- 단동위원소 질량
- 435.1906543
개요
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.
이름 및 식별자
- 우선 이름
- VX-148
- IUPAC
- [(2R)-1-cyanobutan-2-yl] N-[(1S)-1-[3-[(4-cyano-3-methoxyphenyl)carbamoylamino]phenyl]ethyl]carbamate
이름 및 동의어
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
이름 더 보기
T202910
데이터베이스 식별자
- CAS
297730-05-3- PubChem CID
- 9845837
- UNII
- NH18RV17NU
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 136 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 726
화학 및 산업
약리 정보
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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