2-Methyl-1,2,3,4-tetrahydroisochinolin-3-acetonitril | 16866-32-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 2-Methyl-1,2,3,4-tetrahydroisochinolin-3-acetonitril
• 英文别名: (2-methyl-1,2,3,4-tetrahydro-isoquinolin-3-yl)-acetonitrile；2-(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)acetonitrile
• CAS: 16866-32-3
• 化学式: C₁₂H₁₄N₂
• 分子量: 186.257
• InChiKey: GZJLLSFOVHLOGR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  27
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• TYROSINE DERIVATIVES
  申请人：GENENTECH, INC.

  公开号：EP1214292B1

  公开（公告）日：2007-06-13
• [EN] THIOCARBAMATE INHIBITORS OF ALPHA-4 INTEGRINS<br/>[FR] INHIBITEURS DE TYPE THIOCARBAMATES D'INTEGRINES ALPHA-4
  申请人：GENENTECH INC

  公开号：WO2004103967A2

  公开（公告）日：2004-12-02

  The invention provides novel thiocarbamate alpha-4 inhibitors of the general formula (I) wherein L is -C(S)-O- or -C(O)-S-; that are resistant to metabolism having improved half-life and/or clearance properties compared to corresponding carbamate compounds wherein substituents L, X, Y, Z, R1-R4, m, n, o and p are as defined herein. Also provided are compositions comprising compounds of formula I and a carrier, diluent or excipient as well as methods of treating a disease or condition mediated by the binding interaction of alpha-4 integrins to its ligands such as inflammatory diseases.