N-(3-cyanophenyl)-1H-imidazole-1- carboxamide | 160752-77-2

• 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-(3-cyanophenyl)-1H-imidazole-1- carboxamide
• 英文别名: N-(3-cyanophenyl)-1H-imidazole-1-carboxamide；N-(3-cyanophenyl)imidazole-1-carboxamide
• CAS: 160752-77-2
• 化学式: C₁₁H₈N₄O
• 分子量: 212.211
• InChiKey: FBYSMEUWXGYBHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  70.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-amino-1-methyl-5-phenyl-1H-benzo[b][1,4]diazepine-2,4(3H,5H)-dione 、 N-(3-cyanophenyl)-1H-imidazole-1- carboxamide 以 四氢呋喃 为溶剂， 反应 2.0h， 以to give the title compound (510 mg) as a white solid m.p.>250°的产率得到N-(3-cyanophenyl)-N'-(2,3,4,5-tetrahydro-2,4-dioxo-1-methyl-5-phenyl-1H-1,5-benzodiazepin-3-yl)urea
  参考文献：
  名称：

  3-phenylureido-1,5-benzodiazepine-diones useful as gastrin or antagonists

  摘要：

  本发明涉及式(I)的3-苯基脲基-1,5-苯并二氮䓬-二酮，以及其药学上可接受的盐和溶剂化物，并且涉及它们作为胃泌素/CCK-B拮抗剂的用途。

  公开号：

  US05641775A1
• 作为产物：
  描述：

  间氨基苯甲腈 、 N,N'-羰基二咪唑 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 N-(3-cyanophenyl)-1H-imidazole-1- carboxamide
  参考文献：
  名称：

  Design, synthesis and biological evaluation of indole derivatives as novel inhibitors targeting B-Raf kinase

  摘要：

  A series of novel indole derivatives were designed and synthesized and their inhibitory activity against B-Raf and HepG2 cell were also described. Among them, compounds 7a and 7b exhibited excellent potency, which showed the potential for further research as lead compounds. (C) 2013 Wei-Fang Tang and Tao Lu. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2013.11.006

文献信息

• 3-PHENYLUREIDO-1,5-BENZODIAZEPINE-DIONES USEFUL AS GASTRIN OR CCK ANTAGONISTS
  申请人：GLAXO WELLCOME S.p.A.

  公开号：EP0698014B1

  公开（公告）日：1998-07-22
• US5641775A
  申请人：——

  公开号：US5641775A

  公开（公告）日：1997-06-24
• Design, synthesis and biological evaluation of indole derivatives as novel inhibitors targeting B-Raf kinase
  作者：Zeng Wu、Ming Yan、Shi-He Hu、Zhi-Cheng Yu、Yong Zhu、Ya-Dong Cheng、Hai-Chun Liu、Yan-Min Zhang、Si-Hui Yao、Wei-Fang Tang、Tao Lu

  DOI：10.1016/j.cclet.2013.11.006

  日期：2014.2

  A series of novel indole derivatives were designed and synthesized and their inhibitory activity against B-Raf and HepG2 cell were also described. Among them, compounds 7a and 7b exhibited excellent potency, which showed the potential for further research as lead compounds. (C) 2013 Wei-Fang Tang and Tao Lu. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.
• 3-phenylureido-1,5-benzodiazepine-diones useful as gastrin or antagonists
  申请人：Glaxo SpA

  公开号：US05641775A1

  公开（公告）日：1997-06-24

  The invention relates to 3-phenylureido-1,5-benzodiazepine-diones of formula (I) ##STR1## and pharmaceutically acceptable salts and solvates thereof, and to their use as gastrin/CCK-B antagonists.

  本发明涉及式(I)的3-苯基脲基-1,5-苯并二氮䓬-二酮，以及其药学上可接受的盐和溶剂化物，并且涉及它们作为胃泌素/CCK-B拮抗剂的用途。