(R)-4-(5-(4-chlorophenyl)-1-ethyl-4-(3-(4-(4-(4-(4-(4-hydroxypiperidin-1-yl)-1-(phenylthio)butan-2-ylamino)-3-(trifluoromethylsulfonyl)phenylsulfonamido)phenyl)piperazin-1-yl)phenyl)-2-methyl-1H-pyrrole-3-carboxamido)cyclohexanecarboxylic acid | 1619924-80-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: (R)-4-(5-(4-chlorophenyl)-1-ethyl-4-(3-(4-(4-(4-(4-(4-hydroxypiperidin-1-yl)-1-(phenylthio)butan-2-ylamino)-3-(trifluoromethylsulfonyl)phenylsulfonamido)phenyl)piperazin-1-yl)phenyl)-2-methyl-1H-pyrrole-3-carboxamido)cyclohexanecarboxylic acid
• 英文别名: 4-[[5-(4-chlorophenyl)-1-ethyl-4-[3-[4-[4-[[4-[[(2R)-4-(4-hydroxypiperidin-1-yl)-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylamino]phenyl]piperazin-1-yl]phenyl]-2-methylpyrrole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
• CAS: 1619924-80-9
• 化学式: C₅₉H₆₇ClF₃N₇O₈S₃
• 分子量: 1190.87
• InChiKey: SZLAQYCVDFJVPT-FLHRPZSLSA-N

物化性质

• 密度：
  1.411±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.8
• 重原子数：
  81
• 可旋转键数：
  20
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  236
• 氢给体数：
  5
• 氢受体数：
  17

反应信息

• 作为产物：
  描述：

  (R)-5-(4-chlorophenyl)-1-ethyl-4-(3-(4-(4-(4-(4-(4-hydroxypiperidin-1-yl)-1-(phenylthio)butan-2-ylamino)-3-(trifluoromethylsulfonyl)phenylsulfonamido)phenyl)piperazin-1-yl)phenyl)-2-methyl-1H-pyrrole-3-carboxylic acid 、 4-氨基环己烷羧酸甲酯 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 、 sodium hydroxide 作用下， 以 二氯甲烷 为溶剂， 反应 22.0h， 以61 mg的产率得到(R)-4-(5-(4-chlorophenyl)-1-ethyl-4-(3-(4-(4-(4-(4-(4-hydroxypiperidin-1-yl)-1-(phenylthio)butan-2-ylamino)-3-(trifluoromethylsulfonyl)phenylsulfonamido)phenyl)piperazin-1-yl)phenyl)-2-methyl-1H-pyrrole-3-carboxamido)cyclohexanecarboxylic acid
  参考文献：
  名称：

  BCL-2/BCL-XL INHIBITORS AND THERAPEUTIC METHODS USING THE SAME

  摘要：

  抑制剂Bcl-2/Bcl-xL及含有该抑制剂的组合物已被披露。还披露了在治疗需要抑制Bcl-2/Bcl-xL以获益的疾病和状况中使用Bcl-2/Bcl-xL抑制剂的方法，如癌症。

  公开号：

  US20140199234A1

文献信息

• BCL-2/BCL-XL inhibitors and therapeutic methods using the same
  申请人：THE REGENTS OF THE UNIVERSITY OF MICHIGAN

  公开号：US09096625B2

  公开（公告）日：2015-08-04

  Inhibitors of Bcl-2/Bcl-xL and compositions containing the same are disclosed. Methods of using the Bcl-2/Bcl-xL inhibitors in the treatment of diseases and conditions wherein inhibition of Bcl-2/Bcl-xL provides a benefit, like cancers, also are disclosed.

  本文披露了Bcl-2/Bcl-xL的抑制剂及含有它们的组合物。还披露了使用Bcl-2/Bcl-xL抑制剂治疗疾病和病况的方法，其中抑制Bcl-2/Bcl-xL会提供益处，例如癌症。
• Combination of Bcl-2/Bcl-xL inhibitors and chemotherapeutic agent and use thereof
  申请人：ASCENTAGE PHARMA (SUZHOU) CO., LTD.

  公开号：US11491168B2

  公开（公告）日：2022-11-08

  The present disclosure provides a pharmaceutical composition comprising a Bcl-2/Bcl-xL inhibitor, a chemotherapeutic agent, and a pharmaceutically acceptable carrier. The present disclosure also provides a method of treating cancer, comprising administering to a subject in need thereof a therapeutically effective amount of a Bcl-2/Bcl-xL inhibitor alone or in combination with a therapeutically effective amount of a chemotherapeutic agent. The present disclosure also provides use of a combination of a Bcl-2/Bcl-xL inhibitor and a chemotherapeutic agent in the manufacture of an anti-tumor medicament. In the present disclosure, a significantly enhanced anti-tumor effect can be achieved by administration of a Bcl-2/Bcl-xL inhibitor in combination with a chemotherapeutic agent.

  本公开提供了一种药物组合物，其包含 Bcl-2/Bcl-xL 抑制剂、化疗剂和药学上可接受的载体。本公开还提供了一种治疗癌症的方法，包括向有需要的受试者单独施用治疗有效量的Bcl-2/Bcl-xL抑制剂或与治疗有效量的化疗剂联合施用。本公开还提供了将 Bcl-2/Bcl-xL 抑制剂和化疗剂组合用于制造抗肿瘤药物的方法。在本公开中，Bcl-2/Bcl-xL 抑制剂与化疗药物联合使用可显著增强抗肿瘤效果。
• BCL-2/BCL-XL INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER
  申请人：The Regents of The University of Michigan

  公开号：EP2945940B1

  公开（公告）日：2020-07-15
• USE OF A HETEROCYCLIC BCL-2 INHIBITOR FOR REMOVING SENESCENT CELLS AND TREATING SENESCENCE-ASSOCIATED CONDITIONS
  申请人：Unity Biotechnology, Inc.

  公开号：US20170266211A1

  公开（公告）日：2017-09-21

  Disclosed herein are compounds that are effective for treatment of various disease states. Dosing includes both single administration and regimens of cycling dosages.
• COMBINATION PRODUCT OF BCL-2 INHIBITOR OR BCL-2/BCL-XL DUAL INHIBITOR AND BTK INHIBITOR AND USE THEREOF IN THE PREVENTION AND/OR TREATMENT OF DISEASES
  申请人：ASCENTAGE PHARMA (SUZHOU) CO., LTD.

  公开号：US20200222393A1

  公开（公告）日：2020-07-16

  Provided herein is a combination product comprising a Bcl-2 inhibitor (or a Bcl-2/Bcl-xl dual inhibitor) and a BTK inhibitor, the combination product providing a use in the prevention and/or treatment of a disease (e.g., cancer, autoimmune disease and inflammatory disease.).