Acetic acid 2-{3-[2-(tert-butyl-diphenyl-silanyloxy)-ethyl]-1-cyanomethyl-2-oxo-6-trifluoromethyl-1,2-dihydro-quinolin-4-yl}-4-chloro-phenyl ester | 863225-76-7

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: Acetic acid 2-{3-[2-(tert-butyl-diphenyl-silanyloxy)-ethyl]-1-cyanomethyl-2-oxo-6-trifluoromethyl-1,2-dihydro-quinolin-4-yl}-4-chloro-phenyl ester
• CAS: 863225-76-7
• 化学式: C₃₈H₃₄ClF₃N₂O₄Si
• 分子量: 703.233
• InChiKey: KZTNDOXDEFTMJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.91
• 重原子数：
  49.0
• 可旋转键数：
  9.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  81.32
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  Acetic acid 2-{3-[2-(tert-butyl-diphenyl-silanyloxy)-ethyl]-1-cyanomethyl-2-oxo-6-trifluoromethyl-1,2-dihydro-quinolin-4-yl}-4-chloro-phenyl ester 在 sodium azide 、 氯化铵 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 Acetic acid 2-[3-[2-(tert-butyl-diphenyl-silanyloxy)-ethyl]-2-oxo-1-(2H-tetrazol-5-ylmethyl)-6-trifluoromethyl-1,2-dihydro-quinolin-4-yl]-4-chloro-phenyl ester
  参考文献：
  名称：

  Analogs of a potent maxi-K potassium channel opener with an improved inhibitory profile toward cytochrome P450 isozymes

  摘要：

  Quinolinone 1 is a potent maxi-K potassium channel opener. In an effort to design analogs of I with a better inhibitory profile toward the CYP2C9 isozyme, the two acidic sites were chemically modified independently to generate a number of analogs. These analogs were evaluated as maxi-K channel openers in vitro using Xenopus laevis oocytes expressing cloned hSlo maxi-K channels. Compounds 15, 17, and 19 showed potent activity as maxi-K channel openers and were further evaluated for inhibition of the activity of the CYP2C9 isozyme. Compounds 17 and 19 showed diminished inhibitory potency against 2C9 and also against a panel of other more common CYP isozymes. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.06.056
• 作为产物：
  描述：

  3-[2-(tert-Butyl-diphenyl-silanyloxy)-ethyl]-4-(5-chloro-2-hydroxy-phenyl)-6-trifluoromethyl-1H-quinolin-2-one 在 potassium carbonate 、 三乙胺 作用下， 以 1,2-二氯乙烷 、 丙酮 为溶剂， 生成 Acetic acid 2-{3-[2-(tert-butyl-diphenyl-silanyloxy)-ethyl]-1-cyanomethyl-2-oxo-6-trifluoromethyl-1,2-dihydro-quinolin-4-yl}-4-chloro-phenyl ester
  参考文献：
  名称：

  Analogs of a potent maxi-K potassium channel opener with an improved inhibitory profile toward cytochrome P450 isozymes

  摘要：

  Quinolinone 1 is a potent maxi-K potassium channel opener. In an effort to design analogs of I with a better inhibitory profile toward the CYP2C9 isozyme, the two acidic sites were chemically modified independently to generate a number of analogs. These analogs were evaluated as maxi-K channel openers in vitro using Xenopus laevis oocytes expressing cloned hSlo maxi-K channels. Compounds 15, 17, and 19 showed potent activity as maxi-K channel openers and were further evaluated for inhibition of the activity of the CYP2C9 isozyme. Compounds 17 and 19 showed diminished inhibitory potency against 2C9 and also against a panel of other more common CYP isozymes. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.06.056