5,10-dihydro-4H-isoxazolo[5,4-a]carbazole | 108902-37-0

• 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: 5,10-dihydro-4H-isoxazolo[5,4-a]carbazole
• 英文别名: 9,10-Dihydro-carbazolo<2,1-d>-isoxazol；5,10-dihydro-4H-[1,2]oxazolo[5,4-a]carbazole
• CAS: 108902-37-0
• 化学式: C₁₃H₁₀N₂O
• 分子量: 210.235
• InChiKey: ZVLKOIMSNOWANI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  41.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (Z)-2-(hydroxymethylene)-2,3,4,9-tetrahydro-1H-carbazol-1-one 在 盐酸羟胺 作用下， 以 乙醇 、 水 为溶剂， 反应 5.0h， 以43%的产率得到5,10-dihydro-4H-isoxazolo[5,4-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

• Synthesis of heterocyclic steroids—V
  作者：G.V. Bhide、N.L. Tikotkar、B.D. Tilak

  DOI：10.1016/s0040-4020(01)97811-1

  日期：——

  Unsuccessful attempts have been made to synthesize the pyrrolo analogues of equilenin and 3-desoxyequilenin. The synthesis of several carbazole derivatives required in this connexion is described.

  尝试合成马来宁和3-脱氧马来宁的吡咯并类似物没有成功的尝试。描述了该连接所需的几种咔唑衍生物的合成。