(Z)-2-(2-phenylhydrazono)cyclopentan-1-one | 1449650-46-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (Z)-2-(2-phenylhydrazono)cyclopentan-1-one
• 英文别名: (2Z)-2-(2-Phenylhydrazinylidene)cyclopentan-1-one；(2Z)-2-(phenylhydrazinylidene)cyclopentan-1-one
• CAS: 1449650-46-7
• 化学式: C₁₁H₁₂N₂O
• 分子量: 188.229
• InChiKey: DBLKLOOHGTXRLT-RAXLEYEMSA-N

物化性质

• 沸点：
  316.6±25.0 °C(Predicted)
• 密度：
  1.18±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  41.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (Z)-2-(2-phenylhydrazono)cyclopentan-1-one 在 硫酸 作用下， 以 水 、 乙腈 为溶剂， 反应 4.0h， 以40%的产率得到1,4-dihydrocyclopenta[b]indol-3(2H)-one
  参考文献：
  名称：

  A novel necroptosis inhibitor—necrostatin-21 and its SAR study

  摘要：

  An initial structure-activity relationship study of the novel necroptosis inhibitor Nec-21 was described. Any changes of the tetracyclic scaffold were detrimental for the activity. Introduction of a substituent to 7 or 8 position (e.g., cyano or methoxy group, respectively), would increase the activity. The 7 and 8-position disubstituted compound 17b was 35-fold as potent as the lead, while EC50 reached 14 nM. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.06.073
• 作为产物：
  描述：

  环戊酮 在 盐酸 、 乙醇 、 sodium hydride 作用下， 以 乙醚 、 水 、 mineral oil 为溶剂， 反应 4.0h， 生成 (Z)-2-(2-phenylhydrazono)cyclopentan-1-one
  参考文献：
  名称：

  A novel necroptosis inhibitor—necrostatin-21 and its SAR study

  摘要：

  An initial structure-activity relationship study of the novel necroptosis inhibitor Nec-21 was described. Any changes of the tetracyclic scaffold were detrimental for the activity. Introduction of a substituent to 7 or 8 position (e.g., cyano or methoxy group, respectively), would increase the activity. The 7 and 8-position disubstituted compound 17b was 35-fold as potent as the lead, while EC50 reached 14 nM. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.06.073

文献信息

• A novel necroptosis inhibitor—necrostatin-21 and its SAR study
  作者：Zhijie Wu、Ying Li、Yu Cai、Junying Yuan、Chengye Yuan

  DOI：10.1016/j.bmcl.2013.06.073

  日期：2013.9

  An initial structure-activity relationship study of the novel necroptosis inhibitor Nec-21 was described. Any changes of the tetracyclic scaffold were detrimental for the activity. Introduction of a substituent to 7 or 8 position (e.g., cyano or methoxy group, respectively), would increase the activity. The 7 and 8-position disubstituted compound 17b was 35-fold as potent as the lead, while EC50 reached 14 nM. (C) 2013 Elsevier Ltd. All rights reserved.