(R)-N¹-(2-(4-((4′-chloro-biphenyl-2-yl)methyl)-piperazin-1-yl)-5-(4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-nitrophenylsulfonyl-carbamoyl)phenyl)-N⁵-hydroxyglutaramide | 1012056-44-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (R)-N¹-(2-(4-((4′-chloro-biphenyl-2-yl)methyl)-piperazin-1-yl)-5-(4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-nitrophenylsulfonyl-carbamoyl)phenyl)-N⁵-hydroxyglutaramide
• 英文别名: (R)-N1-(2-(4-((4'-chlorobiphenyl-2-yl)methyl)piperazin-1-yl)-5-(4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-nitrophenylsulfonylcarbamoyl)phenyl)-N5-hydroxyglutaramide；N-[2-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-5-[[4-[[(2R)-4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]sulfonylcarbamoyl]phenyl]-N'-hydroxypentanediamide
• CAS: 1012056-44-8
• 化学式: C₄₇H₅₃ClN₈O₈S₂
• 分子量: 957.572
• InChiKey: JEYSCFUSCYXBML-DIPNUNPCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  66
• 可旋转键数：
  20
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  243
• 氢给体数：
  5
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  (R)-methyl 5-(2-(4-((4'-chlorobiphenyl-2-yl)methyl)piperazin-1-yl)-5-(4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-nitrophenylsulfonylcarbamoyl)phenylamino)-5-oxopentanoate 在 羟胺 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 0.08h， 以20.9%的产率得到(R)-N¹-(2-(4-((4′-chloro-biphenyl-2-yl)methyl)-piperazin-1-yl)-5-(4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-nitrophenylsulfonyl-carbamoyl)phenyl)-N⁵-hydroxyglutaramide
  参考文献：
  名称：

  [EN] BCL-2 INHIBITORS CONTAINING A ZINC BINDING MOIETY
  [FR] INHIBITEURS DE LA BCL-2 CONTENANT UNE FRACTION DE LIAISON AU ZINC

  摘要：

  本发明涉及Bcl-2抑制剂及其在治疗癌症等细胞增殖性疾病中的应用。该发明的化合物还可能作为HDAC抑制剂。

  公开号：

  WO2009036051A1

文献信息

• Multi-Functional Small Molecules as Anti-Proliferative Agents
  申请人：Cai Xiong

  公开号：US20080221132A1

  公开（公告）日：2008-09-11

  The present invention relates to the compositions, methods, and applications of a novel approach to selective inhibition of several cellular or molecular targets with a single small molecule. More specifically, the present invention relates to multi-functional small molecules wherein one functionality is capable of inhibiting histone deacetylases (HDAC) and the other functionality is capable of inhibiting a different cellular or molecular pathway involved in aberrant cell proliferation, differentiation or survival.

  本发明涉及一种新型选择性抑制多种细胞或分子靶点的组合物、方法和应用。更具体地说，本发明涉及多功能小分子，其中一种功能能够抑制组蛋白去乙酰化酶（HDAC），另一种功能能够抑制与异常细胞增殖、分化或存活有关的不同细胞或分子途径。
• Chemical entities that kill senescent cells for use in treating age-related disease
  申请人：Unity Biotechnology, Inc.

  公开号：US10195213B2

  公开（公告）日：2019-02-05

  Disclosed herein are compounds that are effective for treatment of various disease states associated with senescence. The disclosed compounds can be used to eliminate senescent cells for disease treatment. The dosing of the compounds includes both single administration and regimens of cycling dosages.

  本文公开的化合物可有效治疗与衰老有关的各种疾病状态。所公开的化合物可用于消除衰老细胞以治疗疾病。化合物的给药方式包括单次给药和循环给药。
• COMPOUNDS AND THERAPEUTIC USES
  申请人：Unity Biotechnology, Inc.

  公开号：US20170281649A1

  公开（公告）日：2017-10-05

  Disclosed herein are compounds that are effective for treatment of various disease states associated with senescence. The disclosed compounds can be used to eliminate senescent cells for disease treatment. The dosing of the compounds includes both single administration and regimens of cycling dosages.
• [EN] MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS<br/>[FR] PETITES MOLÉCULES MULTIFONCTIONNELLES SERVANT D'AGENTS ANTI-PROLIFÉRATIFS
  申请人：CURIS INC

  公开号：WO2008033747A9

  公开（公告）日：2008-07-24

  [EN] The present invention relates to the compositions, methods, and applications of a novel approach to selective inhibition of several cellular or molecular targets with a single small molecule. More specifically, the present invention relates to multi-functional small molecules wherein one functionality is capable of inhibiting histone deacetylases (HDAC) and the other functionality is capable of inhibiting a different cellular or molecular pathway involved in aberrant cell proliferation, differentiation or survival.
  [FR] L'invention concerne des compositions, des procédés, et des applications d'une approche nouvelle permettant d'effectuer une inhibition sélective de plusieurs cibles cellulaires ou moléculaires à l'aide d'une seule petite molécule. En particulier, l'invention concerne de petites molécules multifonctionnelles présentant une fonction d'inhibition d'histone désacétylases (HDAC) et une autre fonction permettant d'inhiber une voie cellulaire ou moléculaire différente impliquée dans une prolifération cellulaire aberrante, dans une différenciation cellulaire aberrante ou dans une survie cellulaire aberrante.
• [EN] BCL-2 INHIBITORS CONTAINING A ZINC BINDING MOIETY<br/>[FR] INHIBITEURS DE LA BCL-2 CONTENANT UNE FRACTION DE LIAISON AU ZINC
  申请人：CURIS INC

  公开号：WO2009036051A1

  公开（公告）日：2009-03-19

  The present invention relates to Bcl-2 inhibitors and their use in the treatment of cell proliferative diseases such as cancer. The compounds of the invention may further act as HDAC inhibitors.

  本发明涉及Bcl-2抑制剂及其在治疗癌症等细胞增殖性疾病中的应用。该发明的化合物还可能作为HDAC抑制剂。