(E)-3-(dimethylamino)-2-(4-methoxy-3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one | 932033-72-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: (E)-3-(dimethylamino)-2-(4-methoxy-3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
• CAS: 932033-72-2
• 化学式: C₂₁H₂₄N₂O₇
• 分子量: 416.431
• InChiKey: WYQZWFKFGPKQGY-NTCAYCPXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  103
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  (E)-3-(dimethylamino)-2-(4-methoxy-3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one 在 盐酸羟胺 、 sodium carbonate 、 溶剂黄146 作用下， 以 甲醇 、 水 为溶剂， 反应 2.0h， 以320 mg的产率得到4-(4-methoxy-3-nitro-phenyl)-5-(3,4,5-trimethoxy-phenyl)-isoxazole
  参考文献：
  名称：

  Synthesis and cytotoxic activities of 4,5-diarylisoxazoles

  摘要：

  A series of 4,5-diarylisoxazoles related to combretastatin A-4 (CA-4) were synthesized and evaluated for cytotoxicity against three human cancer cell lines. Among them, compound 6e showed better cytotoxic activity than CA-4 in HeLa and HepG2 cell lines assayed with IC50 value as low as 0.022 and 0.065 nM, respectively. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.11.023
• 作为产物：
  描述：

  2-(3,4,5-trimethoxyphenyl)-1,3-dithiane 在 正丁基锂 、 mercury dichloride 、 mercury(II) oxide 作用下， 以 四氢呋喃 、 正己烷 、 水 、 乙腈 为溶剂， 反应 30.5h， 生成 (E)-3-(dimethylamino)-2-(4-methoxy-3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
  参考文献：
  名称：

  Synthesis and cytotoxic activities of 4,5-diarylisoxazoles

  摘要：

  A series of 4,5-diarylisoxazoles related to combretastatin A-4 (CA-4) were synthesized and evaluated for cytotoxicity against three human cancer cell lines. Among them, compound 6e showed better cytotoxic activity than CA-4 in HeLa and HepG2 cell lines assayed with IC50 value as low as 0.022 and 0.065 nM, respectively. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.11.023

文献信息

• COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS
  申请人：Synta Pharmaceuticals Corporation

  公开号：US20140045795A1

  公开（公告）日：2014-02-13

  The invention relates to compounds of structural formula (I): or a pharmaceutically acceptable salt, solvate, clathrate, and prodrug thereof, wherein R a , R b , and R 2 are defined herein. These compounds inhibit tubulin polymerization and/or target vasculature and are useful for treating proliferative disorders, such as cancer.

  本发明涉及结构式（I）的化合物：或其药学上可接受的盐、溶剂合物、包合物和前药，其中Ra、Rb和R2在此定义。这些化合物抑制微管聚合和/或靶向血管，可用于治疗增殖性疾病，如癌症。
• US9090603B2
  申请人：——

  公开号：US9090603B2

  公开（公告）日：2015-07-28
• [EN] COMPOUNDS FOR THE TREATMENT OF ANGIOGENESIS<br/>[FR] COMPOSÉS POUR LE TRAITEMENT DE L'ANGIOGENÈSE
  申请人：SYNTA PHARMACEUTICALS CORP

  公开号：WO2008033449A2

  公开（公告）日：2008-03-20

  [EN] The invention relates to isoxazole, isothiazole, and triazole compounds that are useful for treating or inhibiting angiogenesis.
  [FR] La présente invention concerne des composés d'isoxazole, d'isothiazole et de triazole utilisables pour le traitement ou l'inhibition de l'angiogenèse.
• Synthesis and cytotoxic activities of 4,5-diarylisoxazoles
  作者：Chang-Ming Sun、Lee-Gin Lin、Hsi-Jung Yu、Chih-Yu Cheng、Ya-Chuan Tsai、Chi-Wei Chu、Yi-Hui Din、Yat-Pang Chau、Ming-Jaw Don

  DOI：10.1016/j.bmcl.2006.11.023

  日期：2007.2

  A series of 4,5-diarylisoxazoles related to combretastatin A-4 (CA-4) were synthesized and evaluated for cytotoxicity against three human cancer cell lines. Among them, compound 6e showed better cytotoxic activity than CA-4 in HeLa and HepG2 cell lines assayed with IC50 value as low as 0.022 and 0.065 nM, respectively. (c) 2006 Elsevier Ltd. All rights reserved.