1-(4-chlorobenzyl)-3-ethyl-6-(ethylthio)-1,3,5-triazine-2,4-(1H,3H)-dion | 1360106-57-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 1-(4-chlorobenzyl)-3-ethyl-6-(ethylthio)-1,3,5-triazine-2,4-(1H,3H)-dion
• 英文别名: 1-(4-chlorobenzyl)-3-ethyl-6-(ethylthio)-1,3,5-triazine-2,4-(1H, 3H)-dion；1-[(4-chlorophenyl)methyl]-3-ethyl-6-ethylsulfanyl-1,3,5-triazine-2,4-dione
• CAS: 1360106-57-5
• 化学式: C₁₄H₁₆ClN₃O₂S
• 分子量: 325.819
• InChiKey: CDKZVIZMJWJYKK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  78.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(4-chlorobenzyl)-3-ethyl-6-(ethylthio)-1,3,5-triazine-2,4-(1H,3H)-dion 、 5-(4-氨基苯氧基)烟酸甲酯 以 丙酮 、 叔丁醇 为溶剂， 反应 35.0h， 生成 1-(4-chlorobenzyl)-3-ethyl-4-methylthio-6-[4-(5-methoxycarbonyl-3-pyridyloxy)phenylimino]-1,3,5-triazine-2-(1H)-one
  参考文献：
  名称：

  EP2604595

  摘要：

  公开号：

文献信息

• TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION HAVING AN ANALGESIC ACTIVITY COMPRISING THE SAME
  申请人：Kai Hiroyuki

  公开号：US20130172317A1

  公开（公告）日：2013-07-04

  The present invention provides novel compounds having a P2X 3 and/or P2X 2/3 receptor antagonistic effect. A pharmaceutical composition having an analgesic effect or an improving effect of urination disorder comprising a compound of the formula (I): wherein R h and R j are taken together to form a bond; R a and R b and/or R d and R e are taken together to form oxo or the like; R c is hydrogen, substituted or unsubstituted alkyl or the like; R f is —(CR 4a R 4b ) n —R 2 ; R 4a and R 4b are hydrogen, substituted or unsubstituted alkyl or the like; R 2 is substituted or unsubstituted cycloalkyl or the like; n is an integer of 1 to 4; —R g is —X—R 3 ; —X— is —O—, —S— or the like; R 3 is substituted or unsubstituted cycloalkyl or the like, or its pharmaceutically acceptable salt or a solvate thereof.

  本发明提供了具有P2X3和/或P2X2/3受体拮抗作用的新型化合物。一种具有镇痛作用或改善排尿障碍作用的药物组合物，包括式（I）的化合物：其中Rh和Rj结合形成键；Ra和Rb和/或Rd和Re结合形成氧化物或类似物；Rc是氢、取代或未取代的烷基或类似物；Rf是-(CR4aR4b)n-R2；R4a和R4b是氢、取代或未取代的烷基或类似物；R2是取代或未取代的环烷基或类似物；n是1到4的整数；-R是-X-R3；-X-是-O-、-S-或类似物；R3是取代或未取代的环烷基或类似物，或其药学上可接受的盐或其溶剂化物。
• TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOUND THAT CONTAINS SAME AND EXHIBITS ANALGESIC ACTIVITY
  申请人：Shionogi & Co., Ltd.

  公开号：EP2604595A1

  公开（公告）日：2013-06-19

  The present invention provides novel compounds having a P2X3 and/or P2X2/3 receptor antagonistic effect. A pharmaceutical composition having an analgesic effect or an improving effect of urination disorder comprising a compound of the formula (I): wherein Rh and Rj are taken together to form a bond; Ra and Rb and/or Rd and Re are taken together to form oxo or the like; Rc is hydrogen, substituted or unsubstituted alkyl or the like; Rf is -(CR4aR4b)n-R2; R4a and R4b are hydrogen, substituted or unsubstituted alkyl or the like; R2 is substituted or unsubstituted cycloalkyl or the like; n is an integer of 1 to 4; -Rg is -X-R3; -X- is -O-, -S- or the like; R3 is substituted or unsubstituted cycloalkyl or the like, or its pharmaceutically acceptable salt or a solvate thereof.

  本发明提供了具有 P2X3 和/或 P2X2/3 受体拮抗作用的新型化合物。 一种具有镇痛效果或改善排尿障碍效果的药物组合物，由式（I）化合物组成： 其中 Rh 和 Rj 共同形成键；Ra 和 Rb 和/或 Rd 和 Re 共同形成氧代或类似物；Rc 是氢、取代或未取代的烷基或类似物； Rf是-(CR4aR4b)n-R2；R4a和R4b是氢、取代或未取代的烷基或类似物；R2是取代或未取代的环烷基或类似物；n是1至4的整数；-Rg是-X-R3；-X-是-O-、-S-或类似物；R3是取代或未取代的环烷基或类似物、 或其药学上可接受的盐或其溶液。
• EP2604595B1
  申请人：——

  公开号：EP2604595B1

  公开（公告）日：2016-03-16
• US9718790B2
  申请人：——

  公开号：US9718790B2

  公开（公告）日：2017-08-01
• EP2604595
  申请人：——

  公开号：——

  公开（公告）日：——