2-benzyl-2-aza-bicyclo[2.2.2]octan-3-one | 74403-57-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 2-benzyl-2-aza-bicyclo[2.2.2]octan-3-one
• 英文别名: 2-Benzyl-2-aza-bicyclo[2.2.2]octan-3-on；2-benzyl-2-azabicyclo[2.2.2]octan-3-one；2-Benzyl-2-aza-bicyclo<2.2.2>octanon-(3), N-Benzyl-isochinuclidon-(3)
• CAS: 74403-57-9
• 化学式: C₁₄H₁₇NO
• 分子量: 215.295
• InChiKey: IYCVZYDKAIQWQY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-benzyl-2-aza-bicyclo[2.2.2]octan-3-one 在 palladium on activated charcoal 、 lithium aluminium tetrahydride 、 乙醚 、 乙醇 作用下， 生成 2-氮杂双环(2.2.2)辛烷
  参考文献：
  名称：

  The Alkaloids of Tabernanthe Iboga. VII.¹ Derivatives of Isoquinuclidine

  摘要：

  DOI：

  10.1021/ja01544a038
• 作为产物：
  描述：

  cis-4-Aminocyclohexanecarboxylic acid 在 sodium amide 、 甲苯 作用下， 生成 2-benzyl-2-aza-bicyclo[2.2.2]octan-3-one
  参考文献：
  名称：

  The Alkaloids of Tabernanthe Iboga. VII.¹ Derivatives of Isoquinuclidine

  摘要：

  DOI：

  10.1021/ja01544a038

文献信息

• Inhibitors of protein kinases
  申请人：Zeitlmann Lutz

  公开号：US20110224225A1

  公开（公告）日：2011-09-15

  Compounds of general Formula (I): wherein R 1 , R 2 , R 3 , R a , A, B and x are as defined herein are inhibitors of protein kinases in particular members of the cyclin-dependent kinase family and/or the glycogen synthase kinase 3 family and are useful in preventing and/or treating any type of pain, inflammatory disorders, cancer, immunological diseases, proliferative diseases, infectious diseases, cardiovascular diseases, metabolic disorders, renal diseases, neurologic and neuropsychiatric diseases and neurodegenerative diseases.

  通用式(I)的化合物： 其中R1、R2、R3、Ra、A、B和x的定义如本文所述，是特定于细胞周期蛋白激酶家族和/或糖原合成酶激酶3家族的抑制剂，并且在预防和/或治疗任何类型的疼痛、炎症性疾病、癌症、免疫性疾病、增殖性疾病、传染病、心血管疾病、代谢性疾病、肾脏疾病、神经和神经精神疾病以及神经退行性疾病方面具有用处。
• Certain 1-azabicyclo[2.2.1]heptanes useful as muscarinic receptor
  申请人：Pfizer Inc.

  公开号：US05397800A1

  公开（公告）日：1995-03-14

  MUSCARINIC RECEPTOR ANTAGONISTS OF THE FOLLOWING FORMULAE: ##STR1## Muscarinic receptor antagonists, useful especially in the treatment of irritable bowel syndrome, of formula (IA) or (IB) or a pharmaceutically acceptable salt thereof, where R.sup.2 and R.sup.3 are each independently H, halo or C.sub.1 -C.sub.4 alkyl; m is 0, 1 or 2; n is 1, 2 or 3; Y is a direct link, O or S; with the proviso that when n is 1, Y is a direct link; Het is a group of formula (A) or (B), where p is 0, 1 or 2, q is 1, 2 or 3, and r is 0, 1, 2 or 3, with the proviso that the sum of p, q and r is at least 3, the N atom of "Het" being attached to the group (CH.sub.2).sub.n in formula (IA) and to the H atom in formula (IB); and R.sup.1 is a group of formula (a), (b) or Het.sup.1, where R.sup.4 and R.sup.5 are each independently H, C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.4 alkoxy, --(CH.sub.2).sub.t OH, halo, trifluoromethyl, cyano, --(CH.sub.2).sub.t NR.sup.6 R.sup.7, --CO(C.sub.1 -C.sub.4 alkyl), --OCO(C.sub.1 -C.sub.4 alkyl), CH(OH)(C.sub.1 -C.sub.4 alkyl), --C(OH)(C.sub.1 -C.sub.4 alkyl).sub.2, --SO.sub.2 NH.sub.2, --(CH.sub.2).sub.t CONR.sup.6 R.sup.7 or --(CH.sub.2).sub.t COO(C.sub.1 -C.sub.4 alkyl); R.sup.6 and R.sup.7 are each independently H or C.sub.1 -C.sub.4 alkyl; t is 0, 1 or 2; X and X.sup.1 are each independently O or CH.sub.2 ; s is 1, 2 or 3; and Het.sup.1 is pyridyl, pyrazinyl or thienyl.

  以下是中文翻译：MUSCARINIC受体拮抗剂的以下化学式：##STR1## Muscarinic受体拮抗剂，特别适用于治疗肠易激综合征，其化学式为(IA)或(IB)或其药用盐，其中R.sup.2和R.sup.3各自独立地为H、卤素或C.sub.1 -C.sub.4烷基；m为0、1或2；n为1、2或3；Y为直链、O或S；但当n为1时，Y为直链；Het为化学式(A)或(B)的基团，其中p为0、1或2，q为1、2或3，r为0、1、2或3，但要求p、q和r的总和至少为3，"Het"的N原子连接到化学式(IA)中(CH.sub.2).sub.n的基团和化学式(IB)中的H原子；R.sup.1为化学式(a)、(b)或Het.sup.1的基团，其中R.sup.4和R.sup.5各自独立地为H、C.sub.1 -C.sub.4烷基、C.sub.1 -C.sub.4烷氧基、--(CH.sub.2).sub.t OH、卤素、三氟甲基、氰基、--(CH.sub.2).sub.t NR.sup.6 R.sup.7、--CO(C.sub.1 -C.sub.4烷基)、--OCO(C.sub.1 -C.sub.4烷基)、CH(OH)(C.sub.1 -C.sub.4烷基)、--C(OH)(C.sub.1 -C.sub.4烷基).sub.2、--SO.sub.2 NH.sub.2、--(CH.sub.2).sub.t CONR.sup.6 R.sup.7或--(CH.sub.2).sub.t COO(C.sub.1 -C.sub.4烷基)；R.sup.6和R.sup.7各自独立地为H或C.sub.1 -C.sub.4烷基；t为0、1或2；X和X.sup.1各自独立地为O或CH.sub.2；s为1、2或3；Het.sup.1为吡啶基、吡嗪基或噻吩基。
• INHIBITORS OF PROTEIN KINASES
  申请人：Ingenium Pharmaceuticals GmbH

  公开号：US20130345233A1

  公开（公告）日：2013-12-26

  Compounds of general Formula (I): wherein R 1 , R 2 , R 3 , R a , A, B and x are as defined herein are inhibitors of protein kinases in particular members of the cyclin-dependent kinase family and/or the glycogen synthase kinase 3 family and are useful in preventing and/or treating any type of pain, inflammatory disorders, cancer, immunological diseases, proliferative diseases, infectious diseases, cardiovascular diseases, metabolic disorders, renal diseases, neurologic and neuropsychiatric diseases and neurodegenerative diseases.

  通式（I）的化合物：其中R1、R2、R3、Ra、A、B和x如本文所定义，是蛋白激酶抑制剂，特别是细胞周期素依赖性激酶家族和/或糖原合成酶激酶3家族的成员，可用于预防和/或治疗任何类型的疼痛、炎症性疾病、癌症、免疫性疾病、增殖性疾病、传染病、心血管疾病、代谢性疾病、肾脏疾病、神经和神经精神疾病以及神经退行性疾病。
• Hayes, Christopher J.; Simpkins, Nigel S.; Kirk, Douglas T., Journal of the American Chemical Society, 2009, vol. 131, p. 8196 - 8210
  作者：Hayes, Christopher J.、Simpkins, Nigel S.、Kirk, Douglas T.、Mitchell, Lee、Baudoux, Jerome、et al.

  DOI：——

  日期：——
• ARCHELAS, A.;FURSTOSS, R.;WAFGELL, B.;LE, PETIT, J.;DEVEZE, L., J. ORG. CHEM., 1984, 49, N 5, 778-788
  作者：ARCHELAS, A.、FURSTOSS, R.、WAFGELL, B.、LE, PETIT, J.、DEVEZE, L.

  DOI：——

  日期：——