2-(5-(4-methoxyphenoxy)-1H-indazol-3-yl)-5-(4-(piperidin-1-yl)piperidin-1-yl)-1H-benzo[d]imidazole | 882798-10-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(5-(4-methoxyphenoxy)-1H-indazol-3-yl)-5-(4-(piperidin-1-yl)piperidin-1-yl)-1H-benzo[d]imidazole
• 英文别名: 2-[5-(4-methoxyphenoxy)-1H-indazol-3-yl]-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole
• CAS: 882798-10-9
• 化学式: C₃₁H₃₄N₆O₂
• 分子量: 522.65
• InChiKey: MDIHGDNYULKXLQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  39
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  82.3
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-(4-(piperidin-1-yl)piperidin-1-yl)benzene-1,2-diamine 、 5-(4-methoxyphenoxy)-2H-indazole-3-carbaldehyde 在 air 作用下， 生成 2-(5-(4-methoxyphenoxy)-1H-indazol-3-yl)-5-(4-(piperidin-1-yl)piperidin-1-yl)-1H-benzo[d]imidazole
  参考文献：
  名称：

  3-Benzimidazol-2-yl-1H-indazoles as potent c-ABL inhibitors

  摘要：

  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.

  DOI：

  10.1016/j.bmcl.2006.04.043

文献信息

• Indazole benzimidazole compounds
  申请人：Jansen M. Johanna

  公开号：US20060079564A1

  公开（公告）日：2006-04-13

  Organic compounds having the structure I are provided where the variables have the values described herein. A method of inhibiting c-ABL in a patient includes administering an effective amount of a compound of structure I, a tautomer of the compound, a pharmaceutically acceptable salt of the compound, or a pharmaceutically acceptable salt of the tautomer to the patient.

  提供具有结构I的有机化合物，其中变量具有所述值。一种抑制患者中c-ABL的方法包括向患者投与结构I的化合物，化合物的互变异构体，化合物的药学上可接受的盐或互变异构体的药学上可接受的盐的有效量。
• US7642278B2
  申请人：——

  公开号：US7642278B2

  公开（公告）日：2010-01-05
• 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.