tert-butyl (22E)-9-((tert-butoxycarbonyl)amino)-14,31-dichloro-5-methyl-7,17-dioxo-4,25-dioxa-3,8,10,16,19-pentaazatetracyclo[24.2.2.2(12,15).0(2,6)]-dotriaconta-1(28),2,5,8,12,14,22,26,29,31-decaene-19-carboxylate | 1072012-32-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: tert-butyl (22E)-9-((tert-butoxycarbonyl)amino)-14,31-dichloro-5-methyl-7,17-dioxo-4,25-dioxa-3,8,10,16,19-pentaazatetracyclo[24.2.2.2(12,15).0(2,6)]-dotriaconta-1(28),2,5,8,12,14,22,26,29,31-decaene-19-carboxylate
• 英文别名: tert-butyl (22E)-14,31-dichloro-5-methyl-9-[(2-methylpropan-2-yl)oxycarbonylamino]-7,17-dioxo-4,25-dioxa-3,8,10,16,19-pentazatetracyclo[24.2.2.212,15.02,6]dotriaconta-1(28),2,5,9,12,14,22,26,29,31-decaene-19-carboxylate
• CAS: 1072012-32-8
• 化学式: C₃₆H₄₂Cl₂N₆O₈
• 分子量: 757.671
• InChiKey: XEYFDRUXWRMXSA-CSKARUKUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  52
• 可旋转键数：
  5
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  174
• 氢给体数：
  3
• 氢受体数：
  10

文献信息

• Macrocyclic Acyl Guanidines as Beta-Secretase Inhibitors
  申请人：Shi Shuhao

  公开号：US20080262055A1

  公开（公告）日：2008-10-23

  There is provided a series of heterocyclic-containing macrocyclic acyl guanidines of Formula (I) or a stereoisomer; or a nontoxic pharmaceutically acceptable salt thereof, wherein R 1 , R 2 , R 3 , R 4 , R 5 , n and X as defined herein, their pharmaceutical compositions and methods of use. These novel compounds inhibit the processing of amyloid precursor protein (APP) by β-secretase and, more specifically, inhibit the production of Aβ-peptide. The present disclosure is directed to compounds useful in the treatment of neurological disorders related to β-amyloid production, such as Alzheimer's disease and other conditions affected by anti-amyloid activity.

  提供了一系列含杂环的大环酰基胍类化合物，其化学式为(I)或其立体异构体；或其无毒的药用可接受盐，其中R1、R2、R3、R4、R5、n和X如本文所定义，以及它们的药物组合物和使用方法。这些新化合物抑制β-分泌酶对淀粉样前体蛋白(APP)的加工，更具体地，抑制Aβ-肽的产生。本公开涉及用于治疗与β-淀粉样蛋白产生相关的神经系统疾病的化合物，例如阿尔茨海默病和其他受抗淀粉样活性影响的疾病。
• US7732434B2
  申请人：——

  公开号：US7732434B2

  公开（公告）日：2010-06-08