(R)-1-(1H-indazol-3-yl)-2-phenylmethanesulfonyl-1,2,3,4-tetrahydroisoquinoline

• 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: (R)-1-(1H-indazol-3-yl)-2-phenylmethanesulfonyl-1,2,3,4-tetrahydroisoquinoline
• 英文别名: (1R)-2-benzylsulfonyl-1-(2H-indazol-3-yl)-3,4-dihydro-1H-isoquinoline
• 化学式: C₂₃H₂₁N₃O₂S
• 分子量: 403.505
• InChiKey: LWCRLADHWUSCBR-HSZRJFAPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  74.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-溴吲唑 在 AMINOHIPPURATE SODIUM 、 盐酸 、 4-二甲氨基吡啶 、 正丁基锂 作用下， 生成 (R)-1-(1H-indazol-3-yl)-2-phenylmethanesulfonyl-1,2,3,4-tetrahydroisoquinoline
  参考文献：
  名称：

  Novel RAD51 Inhibitors and Uses Thereof

  摘要：

  本发明涵盖了新型RAD51抑制剂。本发明的化合物可能在预防或治疗需要的受试者中的癌症方面有用。本发明还涵盖了通过向受试者投予本发明化合物的治疗有效量来预防或治疗受试者中的癌症的方法。

  公开号：

  US20180057483A1

文献信息

• Novel RAD51 Inhibitors and Uses Thereof
  申请人：THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

  公开号：US20180057483A1

  公开（公告）日：2018-03-01

  The present invention includes novel RAD51 inhibitors. The compounds of the invention may be useful in preventing or treating cancer in a subject in need thereof. The present invention also includes methods of preventing or treating cancer in a subject in need thereof by administering to the subject a therapeutically effective amount of a compound of the invention.

  本发明涵盖了新型RAD51抑制剂。本发明的化合物可能在预防或治疗需要的受试者中的癌症方面有用。本发明还涵盖了通过向受试者投予本发明化合物的治疗有效量来预防或治疗受试者中的癌症的方法。
• RAD51 inhibitors and uses thereof
  申请人：THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

  公开号：US10421753B2

  公开（公告）日：2019-09-24

  The present invention includes novel RAD51 inhibitors. The compounds of the invention may be useful in preventing or treating cancer in a subject in need thereof. The present invention also includes methods of preventing or treating cancer in a subject in need thereof by administering to the subject a therapeutically effective amount of a compound of the invention.

  本发明包括新型 RAD51 抑制剂。本发明的化合物可用于预防或治疗有需要的受试者的癌症。本发明还包括通过向有需要的受试者施用治疗有效量的本发明化合物来预防或治疗癌症的方法。
• Synthesis, molecular modeling, and biological evaluation of novel RAD51 inhibitors
  作者：Jiewen Zhu、Hongyuan Chen、Xuning Emily Guo、Xiao-Long Qiu、Chun-Mei Hu、A. Richard Chamberlin、Wen-Hwa Lee

  DOI：10.1016/j.ejmech.2015.04.021

  日期：2015.5

  RAD51 recombinase plays a critical role for cancer cell proliferation and survival. Targeting RAD51 is therefore an attractive strategy for treating difficult-to-treat cancers, e.g. triple negative breast cancers which are often resistant to existing therapeutics. To this end, we have designed, synthesized and evaluated a panel of new RAD51 inhibitors, denoted IBR compounds. Among these compounds, we have identified a novel small molecule RAD51 inhibitor, IBR120, which exhibited a 4.8-fold improved growth inhibition activity in triple negative human breast cancer cell line MBA-MD-468. IBR120 also inhibited the proliferation of a broad spectrum of other cancer cell types. Approximately 10-fold difference between the IC50 values in normal and cancer cells were observed. Moreover, IBR120 was capable of disrupting RAD51 multimerization, impairing homologous recombination repair, and inducing apoptotic cell death. Therefore, these novel RAD51 inhibitors may serve as potential candidates for the development of pharmaceutical strategies against difficult-to-treat cancers. (C) 2015 Elsevier Masson SAS. All rights reserved.