3-(pyridin-3-ylmethylene)chroman-4-one | 924722-63-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 3-(pyridin-3-ylmethylene)chroman-4-one
• 英文别名: 3-(Pyridin-3-ylmethylidene)chromen-4-one；3-(pyridin-3-ylmethylidene)chromen-4-one
• CAS: 924722-63-4
• 化学式: C₁₅H₁₁NO₂
• 分子量: 237.258
• InChiKey: RSRTZKSNVLICES-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：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(pyridin-3-ylmethylene)chroman-4-one 在 盐酸 、 四(三苯基膦)钯 、 氯化铵 、 溶剂黄146 作用下， 以 N-甲基吡咯烷酮 、 水 、 N,N-二甲基甲酰胺 、 正丁醇 为溶剂， 反应 13.33h， 生成 2-(3-oxo-4-(pyridin-3-yl)-3,5-dihydro-2H-chromeno[4,3-c]pyridazin-2-yl)benzonitrile
  参考文献：
  名称：

  Pyranodipyridine Compound

  摘要：

  由化学式(I)到(XXII)表示的化合物或其药用可接受的盐：

  公开号：

  US20170137436A1
• 作为产物：
  描述：

  3-吡啶甲醛 、 2,3-二氢苯并吡喃-4-酮 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 生成 3-(pyridin-3-ylmethylene)chroman-4-one
  参考文献：
  名称：

  Synthesis of 2,4-diaryl chromenopyridines and evaluation of their topoisomerase I and II inhibitory activity, cytotoxicity, and structure–activity relationship

  摘要：

  Designed and synthesized were a series of 5H-chromeno[4,3-b]pyridines with substitution at 2- and 4-positions with various 5- or 6-membered heteroaromatics as antitumor agents. They were evaluated for topoisomerase I and II inhibitory activities as well as cytotoxicities against several human cancer cell lines. Structure activity relationship study showed that 2-furyl or 2-thienyl at 2- or 4-position of central pyridine is crucial in displaying topo I or II inhibitory activity and cytotoxicity. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.04.029

文献信息

• Pyranodipyridine Compound
  申请人：Eisai R&D Management Co., Ltd.

  公开号：US20170137436A1

  公开（公告）日：2017-05-18

  Compounds represented by formulae (I) to (XXII) or pharmaceutically acceptable salts thereof:

  由化学式(I)到(XXII)表示的化合物或其药用可接受的盐：
• Synthesis of 2,4-diaryl chromenopyridines and evaluation of their topoisomerase I and II inhibitory activity, cytotoxicity, and structure–activity relationship
  作者：Uttam Thapa、Pritam Thapa、Radha Karki、Minho Yun、Jae Hun Choi、Yurngdong Jahng、Eunyoung Lee、Kyung-Hwa Jeon、Younghwa Na、Eun-Mi Ha、Won-Jea Cho、Youngjoo Kwon、Eung-Seok Lee

  DOI：10.1016/j.ejmech.2011.04.029

  日期：2011.8

  Designed and synthesized were a series of 5H-chromeno[4,3-b]pyridines with substitution at 2- and 4-positions with various 5- or 6-membered heteroaromatics as antitumor agents. They were evaluated for topoisomerase I and II inhibitory activities as well as cytotoxicities against several human cancer cell lines. Structure activity relationship study showed that 2-furyl or 2-thienyl at 2- or 4-position of central pyridine is crucial in displaying topo I or II inhibitory activity and cytotoxicity. (C) 2011 Elsevier Masson SAS. All rights reserved.