2-[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one | 1408316-54-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: 2-[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
• 英文别名: 2-(2-oxo-2-phenothiazin-10-ylethyl)-5-phenyl-4H-pyrazol-3-one
• CAS: 1408316-54-0
• 化学式: C₂₃H₁₇N₃O₂S
• 分子量: 399.473
• InChiKey: FGYUMTUBQPSGBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  78.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  10-(氯乙酰基)-10H-吩噻嗪 在 一水合肼 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 28.0h， 生成 2-[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
  参考文献：
  名称：

  An efficient one-pot reaction for the synthesis of pyrazolones bearing a phenothiazine unit

  摘要：

  A simple one-pot approach for the synthesis of new pyrazolones containing a phenothiazine unit is reported. Compound 4b was evaluated for its antiproliferative activity on a NCI-60 cancer cell line panel and exhibited selective cytostatic activity toward CCRF-CEM, HL-60(TB), K-562, MOLT-4, and RPMI-8226 leukemia cell lines. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.08.152

文献信息

• An efficient one-pot reaction for the synthesis of pyrazolones bearing a phenothiazine unit
  作者：Lavinia Baciu-Atudosie、Alina Ghinet、Dalila Belei、Philippe Gautret、Benoît Rigo、Elena Bîcu

  DOI：10.1016/j.tetlet.2012.08.152

  日期：2012.11

  A simple one-pot approach for the synthesis of new pyrazolones containing a phenothiazine unit is reported. Compound 4b was evaluated for its antiproliferative activity on a NCI-60 cancer cell line panel and exhibited selective cytostatic activity toward CCRF-CEM, HL-60(TB), K-562, MOLT-4, and RPMI-8226 leukemia cell lines. (C) 2012 Elsevier Ltd. All rights reserved.