9,27-dihydroxy-3-{2-[4-hydroxy-3-methoxycyclohexyl]-1-methylethyl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-37-phenyl-4,9,10,12,13,14,15,18,21,22,23,24,25,26,27,32,33,34,34a-nonadecahydro-3H-23,27-epoxy-18,15-(epoxyimino)pyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(6H,31H)-pentone | 892494-06-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯内酰胺
• 英文名称: 9,27-dihydroxy-3-{2-[4-hydroxy-3-methoxycyclohexyl]-1-methylethyl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-37-phenyl-4,9,10,12,13,14,15,18,21,22,23,24,25,26,27,32,33,34,34a-nonadecahydro-3H-23,27-epoxy-18,15-(epoxyimino)pyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(6H,31H)-pentone
• 英文别名: (1R,2E,4S,6S,9R,10R,18S,21S,24R,25E,27R,28R,30R,32S,33R)-10,27-dihydroxy-21-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-4,28-dimethoxy-3,9,24,26,30,32-hexamethyl-34-phenyl-20,35,38-trioxa-13,34-diazatetracyclo[31.2.2.16,10.013,18]octatriaconta-2,25,36-triene-11,12,19,23,29-pentone
• CAS: 892494-06-3
• 化学式: C₅₇H₈₄N₂O₁₄
• 分子量: 1021.3
• InChiKey: JFCJJEJRERDVOZ-ZSYWEHCUSA-N

物化性质

• 沸点：
  1029.7±75.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  73
• 可旋转键数：
  7
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  208
• 氢给体数：
  3
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  9,27-dihydroxy-3-{2-[4-hydroxy-3-methoxycyclohexyl]-1-methylethyl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-37-phenyl-4,9,10,12,13,14,15,18,21,22,23,24,25,26,27,32,33,34,34a-nonadecahydro-3H-23,27-epoxy-18,15-(epoxyimino)pyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(6H,31H)-pentone 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 反应 2.5h， 以15%的产率得到ILS-920
  参考文献：
  名称：

  Rapamycin analogues and the uses thereof in the treatment of neurological, proliferative,and inflammatory disorders

  摘要：

  本发明提供以下结构的化合物，其中R1、R2、R4、R4'、R6、R7和R15如上所定义：这些化合物可用于治疗神经系统疾病或中风或头部受伤引起的并发症；良性或恶性肿瘤性疾病、癌瘤和腺癌；增生性疾病；以及炎症性疾病。因此，这些化合物可用作神经保护和神经再生、抗增殖和抗炎药物。

  公开号：

  US20060135549A1
• 作为产物：
  描述：

  雷帕霉素 、 亚硝基苯 以 甲苯 为溶剂， 反应 16.0h， 以42%的产率得到9,27-dihydroxy-3-{2-[4-hydroxy-3-methoxycyclohexyl]-1-methylethyl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-37-phenyl-4,9,10,12,13,14,15,18,21,22,23,24,25,26,27,32,33,34,34a-nonadecahydro-3H-23,27-epoxy-18,15-(epoxyimino)pyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(6H,31H)-pentone
  参考文献：
  名称：

  Rapamycin analogues and the uses thereof in the treatment of neurological, proliferative,and inflammatory disorders

  摘要：

  本发明提供以下结构的化合物，其中R1、R2、R4、R4'、R6、R7和R15如上所定义：这些化合物可用于治疗神经系统疾病或中风或头部受伤引起的并发症；良性或恶性肿瘤性疾病、癌瘤和腺癌；增生性疾病；以及炎症性疾病。因此，这些化合物可用作神经保护和神经再生、抗增殖和抗炎药物。

  公开号：

  US20060135549A1

文献信息

• Discovery of Innovative Small Molecule Therapeutics
  作者：Magid Abou-Gharbia

  DOI：10.1021/jm8012823

  日期：2009.1.8
• WO2008/94147
  申请人：——

  公开号：——

  公开（公告）日：——
• Rapamycin analogues and the uses thereof in the treatment of neurological, proliferative, and inflammatory disorders
  申请人：Graziani Idris Edmund

  公开号：US20070142423A1

  公开（公告）日：2007-06-21

  The present invention provides compounds of the following structure, wherein R 1 , R 2 , R 4 , R 4′ , R 6 , R 7 , and R 15 are defined above: These compounds are useful in treating neurological disorders or complications due to stroke or head injury; benign or malignant neoplastic disease, carcinomas and adenocarcinomas; proliferative disorders; and inflammatory disorders. The compounds are therefore useful as neuroprotective and neuroregenerative, anti-proliferative, and anti-inflammatory agents.
• Rapamycin analogues and the uses thereof in the treatment of neurological disorders
  申请人：Graziani Idris Edmund

  公开号：US20080004264A1

  公开（公告）日：2008-01-03

  Compounds of the following structure, wherein R 1 , R 2 , R 4 , R 4′ , R 6 , R 7 , and R 15 are defined above, are provided: These compounds are useful in treating neurological disorders or complications due to stroke or head injury. The compounds are therefore useful as neuroprotective and neuroregenerative agents.
• Rapamycin Analogues and the Uses Thereof in the Treatment of Neurological Disorders
  申请人：Graziani Edmund Idris

  公开号：US20090203682A1

  公开（公告）日：2009-08-13

  Method of treatment of neurological disorders or complications due to stroke or head injury through the administration of a pharmaceutical composition including a pharmaceutically acceptable excipient or carrier and a compound of formula I are provided: