N-(4-aminothiophen-3-yl)-5-[3-(2-[benzo[1,3]dioxol-5-yl]ethyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]ureidomethyl]pyridine-2-carboxylic acid amide | 1196981-86-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: N-(4-aminothiophen-3-yl)-5-[3-(2-[benzo[1,3]dioxol-5-yl]ethyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]ureidomethyl]pyridine-2-carboxylic acid amide
• 英文别名: N-(4-aminothiophen-3-yl)-5-[[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl]pyridine-2-carboxamide
• CAS: 1196981-86-8
• 化学式: C₂₈H₃₅N₇O₄S
• 分子量: 565.696
• InChiKey: VQGJJNVIXCCPDT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  40
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  154
• 氢给体数：
  3
• 氢受体数：
  9

文献信息

• NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE
  申请人：Mogi Hiroyaki

  公开号：US20110077244A1

  公开（公告）日：2011-03-31

  The present invention relates to synthetic studies of a novel thiophenediamine derivative having a urea structure and to finding pharmaceutical actions thereof. The present invention provides a compound represented by the following general formula (1) or a salt thereof. In the formula (1), R 1 and R 2 are the same or different and represent a hydrogen atom, a lower alkyl group which may have a substituent, etc. R 3 represents a hydroxy group, a lower alkoxy group which may have a substituent, a lower cycloalkyloxy group which may have a substituent, etc. R 4 and R 5 are the same or different and represent a halogen atom, a lower alkyl group, a hydroxy group, etc. X represents a lower alkylene group which may have a substituent, etc. Y represents a single bond or a lower alkylene group which may have a substituent, etc. W 1 -W 2 represents N—CH, CH—N, etc. and l and m are the same or different and represent 0, 1, etc.

  本发明涉及一种具有脲结构的新型噻吩二胺衍生物的合成研究及其药理作用的发现。本发明提供了由下列通式（1）表示的化合物或其盐。在公式（1）中，R1和R2相同或不同，表示氢原子，可能有取代基的低碳基等。R3表示羟基，可能有取代基的低烷氧基，可能有取代基的低环烷氧基等。R4和R5相同或不同，表示卤素原子，低碳基，羟基等。X表示可能有取代基的低碳基亚烷基等。Y表示单键或可能有取代基的低碳基亚烷基等。W1-W2表示N-CH，CH-N等，l和m相同或不同，表示0，1等。
• US8198271B2
  申请人：——

  公开号：US8198271B2

  公开（公告）日：2012-06-12
• US8288380B2
  申请人：——

  公开号：US8288380B2

  公开（公告）日：2012-10-16