基本情報
- CAS
297730-05-3- 標準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- 分子式
- C23H25N5O4
- 平均分子量
- 435.5 g/mol
- 単同位体質量
- 435.1906543
概要
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.
名称と識別子
- 優先名称
- VX-148
- IUPAC
- [(2R)-1-cyanobutan-2-yl] N-[(1S)-1-[3-[(4-cyano-3-methoxyphenyl)carbamoylamino]phenyl]ethyl]carbamate
名称と別名
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
名称をさらに表示
T202910
データベース識別子
- CAS
297730-05-3- PubChem CID
- 9845837
- UNII
- NH18RV17NU
物性
構造計算による物性
- XLogP
- 2.7
- 極性表面積
- 136 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 6
- 回転可能結合数
- 9
- 重原子数
- 32
- 形式電荷
- 0
- 複雑度
- 726
化学と産業
薬理情報
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.
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…