(R)-2-(1-(3-(4-(N-(4-(4-(3-(2-(4-chlorophenyl)-1-isopropyl-5-methyl-4-(methylsulfonyl)-1H-pyrrol-3-yl)-5-fluorophenyl)piperazin-1-yl)phenyl)sulfamoyl)-2-(trifluoromethylsulfonyl)phenylamino)-4-(phenylthio)butyl)piperidine-4-carbonyloxy) ethylphosphonic acid | 1619923-35-1

• 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)-2-(1-(3-(4-(N-(4-(4-(3-(2-(4-chlorophenyl)-1-isopropyl-5-methyl-4-(methylsulfonyl)-1H-pyrrol-3-yl)-5-fluorophenyl)piperazin-1-yl)phenyl)sulfamoyl)-2-(trifluoromethylsulfonyl)phenylamino)-4-(phenylthio)butyl)piperidine-4-carbonyloxy) ethylphosphonic acid
• 英文别名: 2-[1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperidine-4-carbonyl]oxyethylphosphonic acid
• CAS: 1619923-35-1
• 化学式: C₅₆H₆₄ClF₄N₆O₁₁PS₄
• 分子量: 1267.84
• InChiKey: MLUVERFWQNGANI-WBVITSLISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  83
• 可旋转键数：
  23
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  275
• 氢给体数：
  4
• 氢受体数：
  21

反应信息

• 作为产物：
  描述：

  dimethyl (γ-hydroxypropyl)phosphonate 、 (R)-1-(3-(4-(N-(4-(4-(3-(2-(4-chlorophenyl)-1-isopropyl-5-methyl-4-(methylsulfonyl)-1H-pyrrol-3-yl)-5-fluorophenyl)piperazin-1-yl)phenyl)sulfamoyl)-2-(trifluoromethylsulfonyl)phenylamino)-4-(phenylthio)butyl)piperidine-4-carboxylic acid 在 4-二甲氨基吡啶 、 N,N'-二异丙基碳二亚胺 、 三甲基溴硅烷 作用下， 以 二氯甲烷 为溶剂， 生成 (R)-2-(1-(3-(4-(N-(4-(4-(3-(2-(4-chlorophenyl)-1-isopropyl-5-methyl-4-(methylsulfonyl)-1H-pyrrol-3-yl)-5-fluorophenyl)piperazin-1-yl)phenyl)sulfamoyl)-2-(trifluoromethylsulfonyl)phenylamino)-4-(phenylthio)butyl)piperidine-4-carbonyloxy) ethylphosphonic acid
  参考文献：
  名称：

  [EN] 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
  [FR] PRODUIT DE COMBINAISON D'UN INHIBITEUR DE BCL-2 OU D'UN INHIBITEUR DOUBLE DE BCL-2/BCL-XL ET D'UN INHIBITEUR DE BTK ET SON UTILISATION DANS LA PRÉVENTION ET/OU LE TRAITEMENT DE MALADIES

  摘要：

  本文提供了一种组合产品，包括一种Bcl-2抑制剂（或Bcl-2/Bcl-xl双抑制剂）和一种BTK抑制剂，该组合产品可用于预防和/或治疗疾病（例如癌症、自身免疫疾病和炎症性疾病）。

  公开号：

  WO2020024916A1

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：US20140199234A1

  公开（公告）日：2014-07-17

  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.

  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。
• 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-2BCL-XL INHIBITORS AND THERAPEUTIC METHODS USING THE SAME
  申请人：The Regents of The University of Michigan

  公开号：EP2945940A1

  公开（公告）日：2015-11-25
• 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.