1,9-Diazatricyclo[8.7.0.03,8]heptadeca-3,5,7,9-tetraene | 122229-00-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 1,9-Diazatricyclo[8.7.0.03,8]heptadeca-3,5,7,9-tetraene
• CAS: 122229-00-9
• 化学式: C₁₅H₂₀N₂
• 分子量: 228.337
• InChiKey: BDWDPIJBKASPLW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  15.6
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2-氮杂环壬酮 在 盐酸 、 氯化亚砜 、 溶剂黄146 、 锌 作用下， 生成 1,9-Diazatricyclo[8.7.0.03,8]heptadeca-3,5,7,9-tetraene
  参考文献：
  名称：

  Acetylcholinesterase inhibition by fused dihydroquinazoline compounds

  摘要：

  A new type of dihydroquinazoline-based inhibitor of acetylcholinesterase (AChE) is described. These compounds were designed to interact with the catalytic site of AChE in a manner similar to the known inhibitor tacrine, In a manner analogous to the potency enhancement obtained by addition of chlorine atoms to the tacrine molecule, a 3-chloro derivative of the parent hexahydroazepino[2,1-b]quinazoline structure was found to be about 8 times more potent as an AChE inhibitor than the unsubstituted compound.

  DOI：

  10.1016/0960-894x(96)00102-3

文献信息

• Malhotra, S.; Koul, S. K.; Sharma, R. L., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1988, vol. 27, # 1-12, p. 937 - 940
  作者：Malhotra, S.、Koul, S. K.、Sharma, R. L.、Anand, K. K.、Gupta, O. P.、Dhar, K. L.

  DOI：——

  日期：——
• MALHOTRA, S.;KOUL, S. K.;SHARMA, R. L.;ANAND, K. K.;GUPTA, O. P.;DHAR, K.+, INDIAN J. CHEM. B., 27,(1988) N0, C. 937-940
  作者：MALHOTRA, S.、KOUL, S. K.、SHARMA, R. L.、ANAND, K. K.、GUPTA, O. P.、DHAR, K.+

  DOI：——

  日期：——
• Acetylcholinesterase inhibition by fused dihydroquinazoline compounds
  作者：Juan C. Jaén、Vlad E. Gregor、Chet Lee、Robert Davis、Mark Emmerling

  DOI：10.1016/0960-894x(96)00102-3

  日期：1996.3

  A new type of dihydroquinazoline-based inhibitor of acetylcholinesterase (AChE) is described. These compounds were designed to interact with the catalytic site of AChE in a manner similar to the known inhibitor tacrine, In a manner analogous to the potency enhancement obtained by addition of chlorine atoms to the tacrine molecule, a 3-chloro derivative of the parent hexahydroazepino[2,1-b]quinazoline structure was found to be about 8 times more potent as an AChE inhibitor than the unsubstituted compound.