2,10-dimethyl-2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole | 1449650-37-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 2,10-dimethyl-2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole
• 英文别名: 2,10-Dimethyl-4,5-dihydropyrazolo[3,4-a]carbazole；2,10-dimethyl-4,5-dihydropyrazolo[3,4-a]carbazole
• CAS: 1449650-37-6
• 化学式: C₁₅H₁₅N₃
• 分子量: 237.304
• InChiKey: NCBDMHAAALYYBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  22.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2,3,4,9-四氢-1H-咔唑-1-酮 在 sodium hydride 、 一水合肼 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 乙醇 、 正己烷 、 丙酮 为溶剂， 反应 12.25h， 生成 2,10-dimethyl-2,4,5,10-tetrahydropyrazolo[3,4-a]carbazole
  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.