2-cyanoacetamidine

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-cyanoacetamidine
• 英文别名: 2-cyanoethanimidamide
• 化学式: C₃H₅N₃
• mdl: MFCD15833256
• 分子量: 83.0928
• InChiKey: NUPLLTDVHPEUQM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  6
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  73.7
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-cyanoacetamidine 、 4-(dimethylamino)-3-phenylbut-3-en-2-one 以 乙醇 为溶剂， 反应 5.0h， 以0.36 g的产率得到2-氨基-6-甲基-5-苯基吡啶-3-甲腈
  参考文献：
  名称：

  Synthesis and cytotoxic activity of 5,6-heteroaromatically annulated pyridine-2,4-diamines

  摘要：

  A series of 5,6-heteroaromatically annulated pyridine-2,4-diamines have been synthesized and their in vitro cytotoxic activities evaluated against six human cancer cell lines. Benzo[g] annulated pyrido[2,3-b]indolediamines 7a-b and 8 showed relatively high cytotoxic activity as well as most of the diamines with pyrrolo[2,3-b] pyridine 17, thieno[2,3-b] pyridine and furo[2,3-b] pyridine 26-28, 1,8-naphthyridine 32 and 34 and benzo[h] quinoline 37 skeletons. Surprisingly, pyrido[2,3-b] indolediamines 13 and 14 without benzo[g] annulation were inactive. None of the new compounds were as potent as ellipticine, the reference compound. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.05.016
• 作为产物：
  描述：

  2-氰基乙脒酸乙酯盐酸盐 在 氨 作用下， 以 乙醇 为溶剂， 生成 2-cyanoacetamidine
  参考文献：
  名称：

  Synthesis and cytotoxic activity of 5,6-heteroaromatically annulated pyridine-2,4-diamines

  摘要：

  A series of 5,6-heteroaromatically annulated pyridine-2,4-diamines have been synthesized and their in vitro cytotoxic activities evaluated against six human cancer cell lines. Benzo[g] annulated pyrido[2,3-b]indolediamines 7a-b and 8 showed relatively high cytotoxic activity as well as most of the diamines with pyrrolo[2,3-b] pyridine 17, thieno[2,3-b] pyridine and furo[2,3-b] pyridine 26-28, 1,8-naphthyridine 32 and 34 and benzo[h] quinoline 37 skeletons. Surprisingly, pyrido[2,3-b] indolediamines 13 and 14 without benzo[g] annulation were inactive. None of the new compounds were as potent as ellipticine, the reference compound. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.05.016

文献信息

• Pyrrole derivatives and medicinal composition
  申请人：——

  公开号：US05998459A1

  公开（公告）日：1999-12-07

  The invention relates to a pharmaceutical composition comprising a pyrrole derivative of the following formula [1] or a pharmaceutically acceptable salt thereof, or a solvate of either of them, as an active ingredient. ##STR1## (wherein R.sup.1 represents hydrogen or alkoxycar91 bonylamino, R.sup.2 represents alkyl, aryl which may be substituted, aromatic heterocyclyl which may be substituted, unsubstituted amino, monoalkylamino, dialkylamino, or cyclic amino which may be substituted; R.sup.3 represents cyano or carbamoyl; R.sup.4 represents hydrogen or alkyl; E represents alkylene; q is equal to 0 or 1, A represents methyl, aryl which may be substituted, or aromatic heterocyclyl which may be substituted). The pharmaceutical composition of the invention is effective for the treatment of pollakiuria or urinary incontinence.

  本发明涉及一种药物组成物，其包括下式[1]的吡咯衍生物或其药学上可接受的盐或它们的溶剂为活性成分。##STR1##（其中R.sup.1表示氢或烷氧羰基氨基，R.sup.2表示烷基，芳基，可能被取代的芳香杂环基，未取代的氨基，单烷基氨基，双烷基氨基或可能被取代的环状氨基; R.sup.3表示氰基或氨基甲酰基; R.sup.4表示氢或烷基; E表示烷基; q等于0或1，A表示甲基，可能被取代的芳基或芳香杂环基）。本发明的药物组成物对于治疗排尿频繁或尿失禁有效。
• US06172102B2
  申请人：——

  公开号：——

  公开（公告）日：——
• Synthesis and cytotoxic activity of 5,6-heteroaromatically annulated pyridine-2,4-diamines
  作者：C. Willemann、R. Grünert、P.J. Bednarski、R. Troschütz

  DOI：10.1016/j.bmc.2009.05.016

  日期：2009.7

  A series of 5,6-heteroaromatically annulated pyridine-2,4-diamines have been synthesized and their in vitro cytotoxic activities evaluated against six human cancer cell lines. Benzo[g] annulated pyrido[2,3-b]indolediamines 7a-b and 8 showed relatively high cytotoxic activity as well as most of the diamines with pyrrolo[2,3-b] pyridine 17, thieno[2,3-b] pyridine and furo[2,3-b] pyridine 26-28, 1,8-naphthyridine 32 and 34 and benzo[h] quinoline 37 skeletons. Surprisingly, pyrido[2,3-b] indolediamines 13 and 14 without benzo[g] annulation were inactive. None of the new compounds were as potent as ellipticine, the reference compound. (C) 2009 Elsevier Ltd. All rights reserved.