(7Z)-1-(cyclohexylamino)-8-methyl-6,13,15,16-tetrahydro-3H,5H-14,16a-ethano-9,12-ethenoimidazo[1,5-a][1,5]diazacyclotetradecin-3-one | 1019773-42-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• 英文名称: (7Z)-1-(cyclohexylamino)-8-methyl-6,13,15,16-tetrahydro-3H,5H-14,16a-ethano-9,12-ethenoimidazo[1,5-a][1,5]diazacyclotetradecin-3-one
• 英文别名: (8Z)-2-cyclohexylimino-9-methyl-3,5,15-triazatetracyclo[13.2.2.210,13.01,5]henicosa-8,10,12,20-tetraen-4-one
• CAS: 1019773-42-2
• 化学式: C₂₅H₃₄N₄O
• 分子量: 406.571
• InChiKey: NFWRQGGHLYFHDH-SWNXQHNESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  30
• 可旋转键数：
  2
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  47.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-(cyclohexylamino)-8-(3-iodobenzyl)-1-pent-4-en-1-yl-1,3,8-triazaspiro[4.5]dec-3-en-2-one 在 tris-(dibenzylideneacetone)dipalladium(0) silver trifluoromethanesulfonate 、 (R)-2,2'-bis(diphenylphosphanyl)-1,1'-binaphthyl 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 16.5h， 生成 (7Z)-1-(cyclohexylamino)-8-methyl-6,13,15,16-tetrahydro-3H,5H-14,16a-ethano-9,12-ethenoimidazo[1,5-a][1,5]diazacyclotetradecin-3-one 、 1-(cyclohexylamino)-8-methylene-6,7,8,13,15,16-hexahydro-3H,5H-14,16a-ethano-9,12-ethenoimidazo[1,5-a][1,5]diazacyclotetradecin-3-one
  参考文献：
  名称：

  WO2008/45250

  摘要：

  公开号：

文献信息

• MACROCYCLIC SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE
  申请人：Nantermet Philippe G.

  公开号：US20100029701A1

  公开（公告）日：2010-02-04

  The present invention is directed to compounds of formula (I) which are inhibitors of the beta-secretase enzyme and that are useful in the treatment of diseases in which the beta-secretase enzyme is involved, such as Alzheimer's disease. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the treatment of such diseases in which the beta-secretase enzyme is involved.

  本发明涉及式(I)化合物，其是beta-分泌酶酶的抑制剂，适用于治疗涉及beta-分泌酶酶的疾病，如阿尔茨海默病。本发明还涉及包含这些化合物的药物组合物以及这些化合物和组合物在涉及beta-分泌酶酶的疾病治疗中的使用。
• US8399473B2
  申请人：——

  公开号：US8399473B2

  公开（公告）日：2013-03-19
• [EN] MACROCYCLIC SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE<br/>[FR] INHIBITEURS DE SPIROPIPÉRIDINE MACROCYCLIQUE DE BÊTA-SECRÉTASE POUR LE TRAITEMENT DE LA MALADIE D'ALZHEIMER
  申请人：MERCK & CO INC

  公开号：WO2008045250A1

  公开（公告）日：2008-04-17

  [EN] The present invention is directed to compounds of formula (I) which are inhibitors of the beta-secretase enzyme and that are useful in the treatment of diseases in which the beta-secretase enzyme is involved, such as Alzheimer's disease. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the treatment of such diseases in which the beta-secretase enzyme is involved.
  [FR] L'invention concerne des composés de la formule (I) inhibiteurs de l'enzyme bêta-secrétase et utiles dans le traitement de maladies dans lesquelles l'enzyme bêta-secrétase est impliquée, comme la maladie d'Alzheimer. L'invention concerne également des compositions pharmaceutiques comportant ces composés, et l'utilisation de ces composés et compositions dans le traitement de maladies dans lesquelles l'enzyme bêta-secrétase est impliquée.