3-(6-(1,4'-bipiperidin-1'-yl)-1H-benzo[d]imidazol-2-yl)-5-phenoxy-1H-indazole | 485835-01-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(6-(1,4'-bipiperidin-1'-yl)-1H-benzo[d]imidazol-2-yl)-5-phenoxy-1H-indazole
• 英文别名: 1'-[2-(5-phenoxy-1H-indazol-3-yl)-1H-benzimidazol-6-yl]-1,4'-bipiperidine；2-(5-phenoxy-1H-indazol-3-yl)-5-(4-(piperidin-1-yl)piperidin-1-yl)-1H-benzo[d]imidazole；2-(5-phenoxy-1H-indazol-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole
• CAS: 485835-01-6
• 化学式: C₃₀H₃₂N₆O
• 分子量: 492.624
• InChiKey: VFUZEFVLUHADNS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  37
• 可旋转键数：
  5
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  73.1
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-哌啶基哌啶 在 palladium on activated charcoal 氢气 、 三乙胺 作用下， 以 N-甲基吡咯烷酮 、 乙醇 、 甲苯 为溶剂， 反应 6.5h， 生成 3-(6-(1,4'-bipiperidin-1'-yl)-1H-benzo[d]imidazol-2-yl)-5-phenoxy-1H-indazole
  参考文献：
  名称：

  Design and structure–activity relationship of 3-benzimidazol-2-yl-1H-indazoles as inhibitors of receptor tyrosine kinases

  摘要：

  -3-Benzimidazol-2-yl-1H-indazole analogs were developed as inhibitors of receptor tyrosine kinases (RTK). The synthesis and SAR of this series is reported. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.03.069

文献信息

• 3-Benzimidazol-2-yl-1H-indazoles as potent c-ABL inhibitors
  作者：Christopher M. McBride、Paul A. Renhowe、Thomas G. Gesner、Johanna M. Jansen、Julie Lin、Sylvia Ma、Yasheen Zhou、Cynthia M. Shafer

  DOI：10.1016/j.bmcl.2006.04.043

  日期：2006.7

  The 3-benzimidazol-2-yl-1H-indazole scaffold was developed as an alternate scaffold for our receptor tyrosine kinase (RTK) inhibitor program. In exploring the SAR of this series, it was discovered that a subset of these compounds potently inhibit the enzyme c-ABL. The SAR of these compounds is described. (c) 2006 Elsevier Ltd. All rights reserved.
• Design and structure–activity relationship of 3-benzimidazol-2-yl-1H-indazoles as inhibitors of receptor tyrosine kinases
  作者：Christopher M. McBride、Paul A. Renhowe、Carla Heise、Johanna M. Jansen、Gena Lapointe、Sylvia Ma、Ramon Piñeda、Jayesh Vora、Marion Wiesmann、Cynthia M. Shafer

  DOI：10.1016/j.bmcl.2006.03.069

  日期：2006.7

  -3-Benzimidazol-2-yl-1H-indazole analogs were developed as inhibitors of receptor tyrosine kinases (RTK). The synthesis and SAR of this series is reported. (c) 2006 Elsevier Ltd. All rights reserved.