methyl (3S,6S,11aR,Z)-6-((tert-butoxycarbonyl)amino)-5-oxo-2,3,5,6,7,10,11,11a-octahydro-1H-pyrrolo[1,2-e][1,5]diazonine-3-carboxylate | 1071993-11-7

• 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: methyl (3S,6S,11aR,Z)-6-((tert-butoxycarbonyl)amino)-5-oxo-2,3,5,6,7,10,11,11a-octahydro-1H-pyrrolo[1,2-e][1,5]diazonine-3-carboxylate
• CAS: 1071993-11-7
• 化学式: C₁₇H₂₇N₃O₅
• 分子量: 353.418
• InChiKey: WPZNHVNXVUFTPG-JDLDCMLUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.28
• 重原子数：
  25.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  97.3
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  methyl (2S)-5-(3-hydroxypropyl)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylate 在 9-borabicyclo[3.3.1]nonane dimer 、 戴斯-马丁氧化剂 、 双氧水 、 sodium hydroxide 作用下， 以 二氯甲烷 、 四氢呋喃 、 水 为溶剂， 生成 methyl (3S,6S,11aR,Z)-6-((tert-butoxycarbonyl)amino)-5-oxo-2,3,5,6,7,10,11,11a-octahydro-1H-pyrrolo[1,2-e][1,5]diazonine-3-carboxylate
  参考文献：
  名称：

  [EN] HETEROARYL-SUBSTITUTED BICYCLIC SMAC MIMETICS AND THE USES THEREOF
  [FR] SUBSTANCES MIMÉTIQUES DE SMAC BICYCLIQUES SUBSTITUÉES PAR HÉTÉROARYLE ET LEURS UTILISATIONS

  摘要：

  公开号：

  WO2009126947A3

文献信息

• DIAZO BICYCLIC SMAC MIMETICS AND THE USES THEREOF
  申请人：Wang Shaomeng

  公开号：US20100273812A1

  公开（公告）日：2010-10-28

  The invention relates to diazo bicyclic mimetics of Smac which function as inhibitors of Inhibitor of Apoptosis Proteins. The invention also relates to the use of these mimetics for inducing apoptotic cell death and for sensitizing cells to inducers of apoptosis.

  该发明涉及一种Smac的重氮双环模拟物，其作为细胞凋亡抑制蛋白抑制剂。该发明还涉及利用这些模拟物诱导细胞凋亡死亡以及使细胞对凋亡诱导剂敏感的用途。
• EP2491041B1
  申请人：——

  公开号：EP2491041B1

  公开（公告）日：2017-08-09
• HETEROARYL-SUBSTITUTED BICYCLIC SMAC MIMETICS AND THE USES THEREOF
  申请人：Wang Shaomeng

  公开号：US20110046189A1

  公开（公告）日：2011-02-24

  The invention relates to heteroaryl-substituted bicyclic mimetics of Smac which function as inhibitors of Inhibitor of Apoptosis Proteins. The invention also relates to the use of these mimetics for inducing apoptotic cell death and for sensitizing cells to inducers of apoptosis.
• BIVALENT DIAZO BICYCLIC SMAC
  申请人：Wang Shaomeng

  公开号：US20120263675A1

  公开（公告）日：2012-10-18

  The invention relates to diazo bicyclic Smac mimetics that are tethered through a covalent linker to give a bivalent species. Bivalent diazo bicyclic Smac mimetics function as inhibitors of Inhibitor of Apoptosis Proteins (IAPs). The invention also relates to the use of bivalent diazo bicyclic Smac mimetics for inducing or sensitizing cells to the induction of apoptotic cell death. Thus, compounds of the invention are useful in the treatment, amelioration, or prevention of hyperproliferative diseases such as cancer.
• US8278293B2
  申请人：——

  公开号：US8278293B2

  公开（公告）日：2012-10-02