2-Isocyanato-6-methyl-1,3-benzothiazole | 1236202-89-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 2-Isocyanato-6-methyl-1,3-benzothiazole
• 英文别名: 2-isocyanato-6-methyl-1,3-benzothiazole
• CAS: 1236202-89-3
• 化学式: C₉H₆N₂OS
• 分子量: 190.225
• InChiKey: LICGYIKVQHTAPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  70.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-Isocyanato-6-methyl-1,3-benzothiazole 、 (S)-1-(4-(2-(3-aminophenyl)-1H-imidazol-1-yl)pyrimidin-2-ylamino)propan-2-ol 以 四氢呋喃 为溶剂， 反应 12.0h， 生成 (S)-1-(3-(1-(2-(2-hydroxypropylamino)pyrimidin-4-yl)-1H-imidazol-2-yl)phenyl)-3-(6-methylbenzo[d]thiazol-2-yl)urea
  参考文献：
  名称：

  Discovery and initial SAR of pyrimidin-4-yl-1H-imidazole derivatives with antiproliferative activity against melanoma cell lines

  摘要：

  The synthesis of a novel series of pyrimidin-4-yl-1H-imidazol-2-yl derivatives 7, 8, 9 and their antiproliferative activities against A375P human melanoma cell line and WM3629 cell line were described. Most compounds showed superior antiproliferative activities compared to Sorafenib, the well-known RAF inhibitor. Among them, 7a exhibited potent activities on both cell lines (IC50 = 0.62 and 4.49 mu M, respectively) and turned out to be a selective and potent CRAF inhibitor. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.064

文献信息

• 1,4-Dihydropyrazolo[4,3-d]imidazole phenyl derivatives: A novel type II Raf kinase inhibitors
  作者：Hana Yu、Yunkyung Jung、Hwan Kim、Junghun Lee、Chang-Hyun Oh、Kyung Ho Yoo、Taebo Sim、Jung-Mi Hah

  DOI：10.1016/j.bmcl.2010.04.039

  日期：2010.6

  The synthesis of a novel series of 1,4-dihydropyrazolo[4,3-d]imidazole phenyl derivatives 1a-b, 2a-v and their antiproliferative activities against A375P and WM3629 human melanoma cell line were described. Most compounds showed competitive antiproliferative activities to sorafenib, the reference standard. Among them, pyrazoloimidazole phenyl urea compounds 2a, 2d, 2g, 2i, 2t exhibited potent activities on WM3629 cell lines (IC50 = 0.56-0.86 mu M). Especially, 2t was found to be a potent and selective C-Raf inhibitor, showing a possibility as melanoma therapeutics. (C) 2010 Elsevier Ltd. All rights reserved.
• Discovery and initial SAR of pyrimidin-4-yl-1H-imidazole derivatives with antiproliferative activity against melanoma cell lines
  作者：Junghun Lee、Hwan Kim、Hana Yu、Jae Yoon Chung、Chang-Hyun Oh、Kyung Ho Yoo、Taebo Sim、Jung-Mi Hah

  DOI：10.1016/j.bmcl.2010.01.064

  日期：2010.3

  The synthesis of a novel series of pyrimidin-4-yl-1H-imidazol-2-yl derivatives 7, 8, 9 and their antiproliferative activities against A375P human melanoma cell line and WM3629 cell line were described. Most compounds showed superior antiproliferative activities compared to Sorafenib, the well-known RAF inhibitor. Among them, 7a exhibited potent activities on both cell lines (IC50 = 0.62 and 4.49 mu M, respectively) and turned out to be a selective and potent CRAF inhibitor. (C) 2010 Elsevier Ltd. All rights reserved.