N-(5-methoxy-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)benzamide | 1048025-72-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(5-methoxy-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)benzamide
• CAS: 1048025-72-4
• 化学式: C₁₆H₁₁F₃N₂O₂S
• 分子量: 352.337
• InChiKey: XTDRLNZXAKAFPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  79.5
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  5-甲氧基-2-苯并噻唑胺 、 4-三氟甲基苯甲酰氯 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 生成 N-(5-methoxy-1,3-benzothiazol-2-yl)-4-(trifluoromethyl)benzamide
  参考文献：
  名称：

  Synthesis of amide and urea derivatives of benzothiazole as Raf-1 inhibitor

  摘要：

  A series of amide and urea derivatives of benzothiazole have been synthesized and evaluated for their antiproliferative profile in human SK-Hep-1 (liver), MDA-MB-231 (breast), and NUGC-3 (gastric) cell lines. Among them, compounds 1-2, 16-18, 23, and 25-26 had potent to moderate inhibitory activities. Further these compounds were investigated for their ability to inhibit Raf-1 activity. (c) 2007 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2007.10.008

文献信息

• Synthesis of amide and urea derivatives of benzothiazole as Raf-1 inhibitor
  作者：Eun Young Song、Navneet Kaur、Mi-Young Park、Yinglan Jin、Kyeong Lee、Guncheol Kim、Ki Youn Lee、Jee Sun Yang、Jae Hong Shin、Ky-Youb Nam、Kyoung Tai No、Gyoonhee Han

  DOI：10.1016/j.ejmech.2007.10.008

  日期：2008.7

  A series of amide and urea derivatives of benzothiazole have been synthesized and evaluated for their antiproliferative profile in human SK-Hep-1 (liver), MDA-MB-231 (breast), and NUGC-3 (gastric) cell lines. Among them, compounds 1-2, 16-18, 23, and 25-26 had potent to moderate inhibitory activities. Further these compounds were investigated for their ability to inhibit Raf-1 activity. (c) 2007 Elsevier Masson SAS. All rights reserved.