1-[(4-Chlorophenyl)methyl]-6-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-3-(2-hydroxyethyl)-1,3,5-triazine-2,4-dione | 1239689-07-6

• 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: 1-[(4-Chlorophenyl)methyl]-6-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-3-(2-hydroxyethyl)-1,3,5-triazine-2,4-dione
• CAS: 1239689-07-6
• 化学式: C₁₉H₁₅ClF₂N₄O₅
• 分子量: 452.802
• InChiKey: SJDWQDIXSWKPEW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  104
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• NOVEL TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME
  申请人：Kai Hiroyuki

  公开号：US20110319414A1

  公开（公告）日：2011-12-29

  The present invention provides a novel P2X 3 and/or P2X 2/3 receptor antagonist. A compound represented by the formula (I); wherein R a , R b and R c are, (a) R a and R b are taken together ═Z; and R c is a group represented by R 1c ; or (b) R b and R c are taken together to form a bond; and R a is a group represented by —Y—R 1a ; R 1a and R 1c are each independently hydrogen, substituted or unsubstituted alkyl, etc.; R 2 and R 3 are each independently substituted or unsubstituted aryl, etc.; R 4a and R 4b are each independently hydrogen, substituted or unsubstituted alkyl, etc.; X is —N(R 5 )—, etc.; R 5 is hydrogen, substituted or unsubstituted lower alkyl, etc.; —Y— is —O—, etc.; ═Z is ═O, etc.; and n is an integer of 0 to 4.
• NOVEL, TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME
  申请人：Shionogi & Co., Ltd.

  公开号：US20160185736A1

  公开（公告）日：2016-06-30

  The present invention provides a novel P2X 3 and/or P2X 2/3 receptor antagonist. A compound represented by the formula (I): wherein R a , R b and R c are, (a) R a and R b are taken together ═Z; and R c is a group represented by R 1c ; or (b) R b and R c are taken together to form a bond; and R a is a group represented by —Y—R 1a ; R 1a and R 1c are each independently hydrogen, substituted or unsubstituted alkyl, etc.; R 2 and R 3 are each independently substituted or unsubstituted aryl, etc.; R 4a and R 4b are each independently hydrogen, substituted or unsubstituted alkyl, etc.; X is —N(R 5 )—, etc.; R 5 is hydrogen, substituted or unsubstituted lower alkyl, etc.; —Y— is —O—, etc.; ═Z is ═O, etc.; and n is an integer of 0 to 4.
• US9150546B2
  申请人：——

  公开号：US9150546B2

  公开（公告）日：2015-10-06
• US9688643B2
  申请人：——

  公开号：US9688643B2

  公开（公告）日：2017-06-27
• US9718790B2
  申请人：——

  公开号：US9718790B2

  公开（公告）日：2017-08-01