1-[adamantan-1-yl]-4-{2-[(1-{4-[({3-nitro-4-[(tetrahydro-2H-pyran-4-ylmethyl)amino]phenyl}sulfonyl)carbamoyl]phenyl}piperidin-4-ylidene)methyl]phenyl}-N,N-diphenyl-1H-pyrazole-3-carboxamide | 1335147-85-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-[adamantan-1-yl]-4-{2-[(1-{4-[({3-nitro-4-[(tetrahydro-2H-pyran-4-ylmethyl)amino]phenyl}sulfonyl)carbamoyl]phenyl}piperidin-4-ylidene)methyl]phenyl}-N,N-diphenyl-1H-pyrazole-3-carboxamide
• 英文别名: 1-(1-adamantyl)-4-[2-[[1-[4-[[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonylcarbamoyl]phenyl]piperidin-4-ylidene]methyl]phenyl]-N,N-diphenylpyrazole-3-carboxamide
• CAS: 1335147-85-7
• 化学式: C₅₇H₅₉N₇O₇S
• 分子量: 986.204
• InChiKey: WFWHTERZBBVJCE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.1
• 重原子数：
  72
• 可旋转键数：
  13
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  180
• 氢给体数：
  2
• 氢受体数：
  10

文献信息

• APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES
  申请人：Ding Hong

  公开号：US20110237553A1

  公开（公告）日：2011-09-29

  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，包含这些化合物的组合物以及治疗在其中表达抗凋亡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：Abbvie Inc.

  公开号：EP2757105A1

  公开（公告）日：2014-07-23

  This invention pertains to compounds, or therapeutically acceptable salts thereof, which inhibit the activity of Bcl-2 anti-apoptotic proteins, pharmaceutical compositions containing the compounds, and compounds and compositions for use in treating diseases during which anti-apoptotic Bcl-2 proteins are expressed.

  本发明涉及抑制 Bcl-2 抗凋亡蛋白活性的化合物或其治疗上可接受的盐类、含有这些化合物的药物组合物，以及用于治疗表达抗凋亡 Bcl-2 蛋白的疾病的化合物和组合物。
• US8188077B2
  申请人：——

  公开号：US8188077B2

  公开（公告）日：2012-05-29
• US8343967B2
  申请人：——

  公开号：US8343967B2

  公开（公告）日：2013-01-01
• [EN] APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES<br/>[FR] AGENTS INDUISANT L'APOPTOSE POUR LE TRAITEMENT DU CANCER ET DE MALADIES IMMUNES ET AUTO-IMMUNES
  申请人：ABBOTT LAB

  公开号：WO2011119345A2

  公开（公告）日：2011-09-29

  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.