tert-butyl (2S)-2-{[(5-{[2-(1H-benzimidazol-4-yloxy)-4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)benzoyl]sulfamoyl}-4-methyl-1,3-thiazol-2-yl)oxy]methyl}morpholine-4-carboxylate | 1235865-79-8

• 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: tert-butyl (2S)-2-{[(5-{[2-(1H-benzimidazol-4-yloxy)-4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)benzoyl]sulfamoyl}-4-methyl-1,3-thiazol-2-yl)oxy]methyl}morpholine-4-carboxylate
• 英文别名: tert-butyl (2S)-2-[[5-[[2-(1H-benzimidazol-4-yloxy)-4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]oxymethyl]morpholine-4-carboxylate
• CAS: 1235865-79-8
• 化学式: C₄₇H₅₆ClN₇O₈S₂
• 分子量: 946.589
• InChiKey: YWUMPGBQMSMYOF-DHUJRADRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  65
• 可旋转键数：
  14
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  205
• 氢给体数：
  2
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  8-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-11H-benz[b]imidazo[1,5,4-ef][1,5]benzoxazepin-11-one 、 (S)-tert-butyl 2-((4-methyl-5-sulfamoylthiazol-2-yloxy)methyl)morpholine-4-carboxylate 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 生成 tert-butyl (2S)-2-{[(5-{[2-(1H-benzimidazol-4-yloxy)-4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)benzoyl]sulfamoyl}-4-methyl-1,3-thiazol-2-yl)oxy]methyl}morpholine-4-carboxylate
  参考文献：
  名称：

  APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES

  摘要：

  公开了抑制抗凋亡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表达抗凋亡Bcl-2蛋白疾病的方法。

  公开号：

  US20100184766A1

文献信息

• 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.
• APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES
  申请人：Kunzer Aaron R.

  公开号：US20100184766A1

  公开（公告）日：2010-07-22

  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.

  公开了抑制抗凋亡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表达抗凋亡Bcl-2蛋白疾病的方法。