[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-methylanilino]-4-phenylsulfanylbutyl]piperidin-4-yl]oxy-2-oxoethyl]phosphonic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: [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-methylanilino]-4-phenylsulfanylbutyl]piperidin-4-yl]oxy-2-oxoethyl]phosphonic acid
• 化学式: C₅₅H₆₅ClFN₆O₉PS₃
• 分子量: 1135.8
• InChiKey: FDJAQOBOENUHSQ-WBVITSLISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  76
• 可旋转键数：
  21
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  233
• 氢给体数：
  4
• 氢受体数：
  16

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。
• 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.
• US9096625B2
  申请人：——

  公开号：US9096625B2

  公开（公告）日：2015-08-04
• US9403856B2
  申请人：——

  公开号：US9403856B2

  公开（公告）日：2016-08-02