5-methyl-N,N-diphenyl-1-(2-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)phenyl)-1H-pyrazole-3-carboxamide | 1124157-69-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 5-methyl-N,N-diphenyl-1-(2-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)phenyl)-1H-pyrazole-3-carboxamide
• 英文别名: 1-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-5-methyl-N,N-diphenylpyrazole-3-carboxamide
• CAS: 1124157-69-2
• 化学式: C₃₃H₂₈N₄O₂
• 分子量: 512.611
• InChiKey: GTQPMXUXXJDUHK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  39
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  58.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  四氢异喹啉 、 2-(3-(diphenylcarbamoyl)-5-methyl-1H-pyrazol-1-yl)benzoic acid 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 生成 5-methyl-N,N-diphenyl-1-(2-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)phenyl)-1H-pyrazole-3-carboxamide
  参考文献：
  名称：

  Tetrahydroisoquinoline amide substituted phenyl pyrazoles as selective Bcl-2 inhibitors

  摘要：

  Anti-apoptotic Bcl-2 protects cells from apoptosis by binding to pro-apoptotic members of the Bcl-2 family thereby playing a role in tumour survival in response to chemo- or radiation therapy. We describe a series of phenyl pyrazoles that have high affinity for Bcl-2 and rationalise the observed SAR by means of an X-ray crystal structure.

  DOI：

  10.1016/j.bmcl.2008.10.113

文献信息

• Tetrahydroisoquinoline amide substituted phenyl pyrazoles as selective Bcl-2 inhibitors
  作者：John Porter、Andrew Payne、Ben de Candole、Daniel Ford、Brian Hutchinson、Graham Trevitt、James Turner、Chloe Edwards、Clare Watkins、Ian Whitcombe、Jeremy Davis、Colin Stubberfield

  DOI：10.1016/j.bmcl.2008.10.113

  日期：2009.1

  Anti-apoptotic Bcl-2 protects cells from apoptosis by binding to pro-apoptotic members of the Bcl-2 family thereby playing a role in tumour survival in response to chemo- or radiation therapy. We describe a series of phenyl pyrazoles that have high affinity for Bcl-2 and rationalise the observed SAR by means of an X-ray crystal structure.