1-(3,8-Diaza-bicyclo[3.2.1]oct-8-yl)-2,2-dimethyl-propan-1-one | 223577-03-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 1-(3,8-Diaza-bicyclo[3.2.1]oct-8-yl)-2,2-dimethyl-propan-1-one
• 英文别名: 1-(3,8-Diazabicyclo[3.2.1]octan-8-yl)-2,2-dimethylpropan-1-one；1-(3,8-diazabicyclo[3.2.1]octan-8-yl)-2,2-dimethylpropan-1-one
• CAS: 223577-03-5
• 化学式: C₁₁H₂₀N₂O
• 分子量: 196.293
• InChiKey: RFJMPJSTFOGYEV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  p-nitrocinnamyl chloride 、 1-(3,8-Diaza-bicyclo[3.2.1]oct-8-yl)-2,2-dimethyl-propan-1-one 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 6.0h， 以45%的产率得到2,2-Dimethyl-1-{3-[(E)-3-(4-nitro-phenyl)-allyl]-3,8-diaza-bicyclo[3.2.1]oct-8-yl}-propan-1-one
  参考文献：
  名称：

  Synthesis and μ-opioid receptor affinity of a new series of nitro substituted 3,8-diazabicyclo[3.2.1]octane derivatives

  摘要：

  A new series of analogues (1c-j; 2c-i) of the previously reported analgesic 3,8-diazabicyclo[3.2.1]octanes (1a,b; 2a,b) was synthesized and tested for their affinity towards mu-opioid receptors. Modifications were introduced either at the cinnamyl or the acyl side chains. The majority of the new compounds, with the exception of 1c,j and 2c, showed K-i values better or comparable with those of the models. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(98)00065-2
• 作为产物：
  描述：

  3-(苯基甲基)-3,8-二氮杂双环[3.2.1]辛烷 在 palladium on activated charcoal 氢气 、 三乙胺 作用下， 以 乙醇 、 甲苯 为溶剂， 反应 2.0h， 生成 1-(3,8-Diaza-bicyclo[3.2.1]oct-8-yl)-2,2-dimethyl-propan-1-one
  参考文献：
  名称：

  Synthesis and μ-opioid receptor affinity of a new series of nitro substituted 3,8-diazabicyclo[3.2.1]octane derivatives

  摘要：

  A new series of analogues (1c-j; 2c-i) of the previously reported analgesic 3,8-diazabicyclo[3.2.1]octanes (1a,b; 2a,b) was synthesized and tested for their affinity towards mu-opioid receptors. Modifications were introduced either at the cinnamyl or the acyl side chains. The majority of the new compounds, with the exception of 1c,j and 2c, showed K-i values better or comparable with those of the models. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(98)00065-2

文献信息

• N-PHENYL IMIDAZOLE CARBOXAMIDE INHIBITORS OF 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1
  申请人：Tsui Hon-Chung

  公开号：US20130079326A1

  公开（公告）日：2013-03-28

  The present invention provide Imidazole Carboxamide Compounds of Formula (I): wherein D, T, R 1 , R 2 , R 3 , and R 6 are as defined herein, and pharmaceutically acceptable salts of such Imidazole Carboxamide Compounds. The Imidazole Carboxamide Compounds are useful in the treatment of cancer and other aberrant conditions that result from overstimulation of the PDK-1 signaling pathway.

  本发明提供了式(I)的咪唑羧酰胺化合物，其中D、T、R1、R2、R3和R6如本文所定义，并且这些咪唑羧酰胺化合物的药学上可接受的盐。这些咪唑羧酰胺化合物对于治疗癌症和由PDK-1信号通路过度刺激引起的其他异常情况非常有用。
• US8623857B2
  申请人：——

  公开号：US8623857B2

  公开（公告）日：2014-01-07
• Synthesis and μ-opioid receptor affinity of a new series of nitro substituted 3,8-diazabicyclo[3.2.1]octane derivatives
  作者：D. Barlocco、G. Cignarella、P. Vianello、S. Villa、G.A. Pinna、P. Fadda、W. Fratta

  DOI：10.1016/s0014-827x(98)00065-2

  日期：1998.8

  A new series of analogues (1c-j; 2c-i) of the previously reported analgesic 3,8-diazabicyclo[3.2.1]octanes (1a,b; 2a,b) was synthesized and tested for their affinity towards mu-opioid receptors. Modifications were introduced either at the cinnamyl or the acyl side chains. The majority of the new compounds, with the exception of 1c,j and 2c, showed K-i values better or comparable with those of the models. (C) 1998 Elsevier Science S.A. All rights reserved.