(5-{5-(4-{[2-(4-chloro-phenyl)-4,4-dimethyl-cyclohex-1-en-1-yl]methyl}piperazin-1-yl)-2-[({3-nitro-4-[tetrahydro-2H-pyran-4-ylmethylamino]phenyl}sulfonyl)carbamoyl]phenoxy}-7H-pyrrolo[2,3-b]pyridin-7-yl)methyldihydrogenphosphate | 1351456-78-4

• 物质功能分类: 医药中间体 - 嘧啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: (5-{5-(4-{[2-(4-chloro-phenyl)-4,4-dimethyl-cyclohex-1-en-1-yl]methyl}piperazin-1-yl)-2-[({3-nitro-4-[tetrahydro-2H-pyran-4-ylmethylamino]phenyl}sulfonyl)carbamoyl]phenoxy}-7H-pyrrolo[2,3-b]pyridin-7-yl)methyldihydrogenphosphate
• 英文别名: Benzamide, 4-(4-((2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl)methyl)-1-piperazinyl)-N-((3-nitro-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)phenyl)sulfonyl)-2-((7-((phosphonooxy)methyl)-7H-pyrrolo(2,3-b)pyridin-5-yl)oxy)-；[5-[5-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-2-[[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonylcarbamoyl]phenoxy]pyrrolo[2,3-b]pyridin-7-yl]methyl dihydrogen phosphate
• CAS: 1351456-78-4
• 化学式: C₄₆H₅₃ClN₇O₁₁PS
• 分子量: 978.46
• InChiKey: CLQLTQZFOGFNCT-UHFFFAOYSA-N

物化性质

• 密度：
  1.49±0.1 g/cm3(Predicted)
• 溶解度：
  DMSO：100 mg/mL（102.20 mM；需要超声波）

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  67
• 可旋转键数：
  15
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  239
• 氢给体数：
  4
• 氢受体数：
  15

文献信息

• [EN] APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES<br/>[FR] AGENTS INDUCTEURS D'APOPTOSE POUR LE TRAITEMENT DU CANCER ET DE MALADIES IMMUNITAIRES ET AUTO-IMMUNES
  申请人：ABBOTT LAB

  公开号：WO2011150016A1

  公开（公告）日：2011-12-01

  Disclosed are compounds which inhibit the activity of anti-apoptotic Bcl-2 proteins, compositions containing the compounds and methods of treating diseases during which is expressed anti-apoptotic Bcl-2 protein.

  揭示了抑制抗凋亡Bcl-2蛋白活性的化合物，含有这些化合物的组合物以及治疗期间表达抗凋亡Bcl-2蛋白的疾病的方法。
• APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES
  申请人：Tao Zhi-Fu

  公开号：US20120028925A1

  公开（公告）日：2012-02-02

  Disclosed are compounds which inhibit the activity of anti-apoptotic Bcl-2 proteins, compositions containing the compounds and methods of treating diseases during which is expressed anti-apoptotic Bcl-2 protein.

  本发明涉及抑制抗凋亡Bcl-2蛋白活性的化合物，包含该化合物的组合物以及治疗表达抗凋亡Bcl-2蛋白相关疾病的方法。
• 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.
• US9006247B2
  申请人：——

  公开号：US9006247B2

  公开（公告）日：2015-04-14
• US9403822B2
  申请人：——

  公开号：US9403822B2

  公开（公告）日：2016-08-02