tert-butyl methyl((2S)-1-oxo-1-(((4S,9aS)-5-oxo-7-(((R)-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl)octahydropyrrolo[2,1-b][1,3]oxazepin-4-yl)amino)propan-2-yl)carbamate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: tert-butyl methyl((2S)-1-oxo-1-(((4S,9aS)-5-oxo-7-(((R)-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl)octahydropyrrolo[2,1-b][1,3]oxazepin-4-yl)amino)propan-2-yl)carbamate
• 英文别名: tert-butyl N-[(2S)-1-[[(4S,9aS)-5-oxo-7-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-3,4,7,8,9,9a-hexahydro-2H-pyrrolo[2,1-b][1,3]oxazepin-4-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate
• 化学式: C₂₈H₄₀N₄O₆
• 分子量: 528.649
• InChiKey: NWPKBRWUIBLSJT-WUCJZJBJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  38
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  117
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  tert-butyl methyl((2S)-1-oxo-1-(((4S,9aS)-5-oxo-7-(((R)-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl)octahydropyrrolo[2,1-b][1,3]oxazepin-4-yl)amino)propan-2-yl)carbamate 在 间氯过氧苯甲酸 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 23.16h， 生成 (4S,7S,9aS)-4-((S)-2-(methylamino)propanamido)-5-oxo-N-((R)-1,2,3,4-tetrahydronaphthalen-1-yl)octahydropyrrolo [2,1-b][1,3]thiazepine-7-carboxamide 1,1-dioxide
  参考文献：
  名称：

  [EN] USE OF INHIBITOR OF APOPTOSIS PROTEIN (IAP) ANTAGONISTS IN HIV THERAPY
  [FR] UTILISATION D'UN INHIBITEUR DES ANTAGONISTES DE LA PROTÉINE D'APOPTOSE (IAP) DANS UNE THÉRAPIE CONTRE LE VIH

  摘要：

  公开号：

  WO2015187998A3

文献信息

• INHIBITOR OF APOPTOSIS PROTEIN (IAP) ANTAGONISTS
  申请人：Sanford-Burnham Medical Research Institute

  公开号：US20150307499A1

  公开（公告）日：2015-10-29

  Provided herein are compounds that modulate the activity of inhibitor of apoptosis proteins (IAPs), compositions comprising the compounds, and methods of using the compounds and compositions comprising the compounds.

  本文提供的是调节细胞凋亡抑制蛋白(IAPs)活性的化合物，包含这些化合物的组合物，以及使用这些化合物和组合物的方法。
• Use of inhibitor of apoptosis protein (IAP) antagonists in HIV therapy
  申请人：Sanford-Burnham Medical Research Institute

  公开号：US10300074B2

  公开（公告）日：2019-05-28

  Provided herein is the use of compounds that modulate the activity of inhibitor of apoptosis proteins (IAPs), alone or in combination with other therapeutic agents, in the treatment of human immunodeficiency virus (HIV). Described herein is the use of IAP antagonists in the treatment of human immunodeficiency virus (HIV) in a mammal, alone or in combination with other therapeutic agents used in HIV therapy. In one aspect, provided herein is a method of treating human immunodeficiency virus (HIV) in an individual in need thereof comprising administering a therapeutically effective amount of at least one inhibitor of apoptosis proteins (IAP) antagonist.

  本文提供了调节凋亡抑制蛋白（IAPs）活性的化合物单独或与其他治疗剂联合在治疗人类免疫缺陷病毒（HIV）中的用途。本文描述了 IAP 拮抗剂在治疗哺乳动物体内的人类免疫缺陷病毒（HIV）中的用途，可单独使用或与 HIV 治疗中使用的其他治疗剂联合使用。在一个方面，本文提供了一种治疗有需要的个体的人类免疫缺陷病毒（HIV）的方法，包括施用治疗有效量的至少一种细胞凋亡蛋白抑制剂（IAP）拮抗剂。
• Inhibitor of apoptosis protein (IAP) antagonists
  申请人：Sanford Burnham Prebys Medical Discovery Institute

  公开号：US10544188B2

  公开（公告）日：2020-01-28

  Provided herein are compounds that modulate the activity of inhibitor of apoptosis proteins (IAPs), compositions comprising the compounds, and methods of using the compounds and compositions comprising the compounds.

  本文提供了调节细胞凋亡抑制蛋白（IAPs）活性的化合物、包含这些化合物的组合物以及使用这些化合物和包含这些化合物的组合物的方法。
• Inhibitor of Apoptosis Protein (IAP) Antagonists
  申请人：Sanford-Burnham Medical Research Institute

  公开号：US20170081362A1

  公开（公告）日：2017-03-23

  Provided herein are compounds that modulate the activity of inhibitor of apoptosis proteins (IAPB), compositions comprising the compounds, and methods of using the compounds and compositions comprising the compounds.
• Use of Inhibitor of Apoptosis Protein (IAP) Antagonists in HIV Therapy
  申请人：Sanford-Burnham Medical Research Institute

  公开号：US20170196879A1

  公开（公告）日：2017-07-13

  Provided herein is the use of compounds that modulate the activity of inhibitor of apoptosis proteins (1APs), alone or in combination with other therapeutic agents, in the treatment of human immunodeficiency virus (HIV). Described herein is the use of IAP antagonists in the treatment of human immunodeficiency virus (HIV) in a mammal, alone or in combination with other therapeutic agents used in HIV therapy. In one aspect, provided herein is a method of treating human immunodeficiency virus (HIV) in an individual in need thereof comprising administering a therapeutically effective amount of at least one inhibitor of apoptosis proteins (IAP) antagonist.