5-[(benzyloxy)methyl]-N-cyclopropyl-1-{4-[(ethylamino)carbonyl]phenyl}-1H-1,2,3-triazole-4-carboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-[(benzyloxy)methyl]-N-cyclopropyl-1-{4-[(ethylamino)carbonyl]phenyl}-1H-1,2,3-triazole-4-carboxamide
• 英文别名: N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]-5-(phenylmethoxymethyl)triazole-4-carboxamide
• 化学式: C₂₃H₂₅N₅O₃
• 分子量: 419.483
• InChiKey: ZADRHTMTVHMNBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  98.1
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-[(benzyloxy)methyl]-N-cyclopropyl-1-{4-[(ethylamino)carbonyl]phenyl}-1H-1,2,3-triazole-4-carboxamide 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 120.0h， 以76%的产率得到N-cyclopropyl-1-{4-[(ethylamino)carbonyl]phenyl}-5-(hydroxymethyl)-1H-1,2,3-triazole-4-carboxamide
  参考文献：
  名称：

  EP1867331

  摘要：

  公开号：
• 作为产物：
  描述：

  、 环丙胺 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以76%的产率得到5-[(benzyloxy)methyl]-N-cyclopropyl-1-{4-[(ethylamino)carbonyl]phenyl}-1H-1,2,3-triazole-4-carboxamide
  参考文献：
  名称：

  EP1867331

  摘要：

  公开号：

文献信息

• Triazole Derivative and Use Thereof
  申请人：Kubo Keiji

  公开号：US20090105253A1

  公开（公告）日：2009-04-23

  The present invention relates to a thrombin receptor antagonist containing a compound represented by the formula (I) wherein R 1a , R 1b and R 2 are each a hydrogen atom, an optionally substituted hydrocarbon group, an optionally substituted heterocyclic group, or an optionally substituted alkoxy, R 3 is a group represented by the formula —NHCOR 4 , —NHSO 2 R 5 , —NHCON(R 6a )(R 6b ), —NHCOOR 7 or —CONHR 8 wherein R 4 , R 5 , R 6a , R 6b , R 7 and R 8 are each a hydrogen atom, an optionally substituted hydrocarbon group, an optionally substituted heterocyclic group and the like), ring A is monocyclic aromatic ring optionally further having substituent(s), R 1a and R 1b are optionally bonded to each other to form an optionally substituted nitrogen-containing non-aromatic heterocycle, or a salt thereof or a prodrug thereof. The thrombin receptor antagonist of the present invention has a thrombin receptor (particularly PAR-1) antagonistic action and is useful for the prophylaxis or treatment of PAR-1 mediated pathological condition or disease.

  本发明涉及一种含有式(I)所表示的化合物的凝血酶受体拮抗剂，其中R1a、R1b和R2分别是氢原子、可选取代的碳氢基团、可选取代的杂环基团或可选取代的烷氧基，R3是由式—NHCOR4、—NHSO2R5、—NHCON(R6a)(R6b)、—NHCOOR7或—CONHR8所表示的基团，其中R4、R5、R6a、R6b、R7和R8分别是氢原子、可选取代的碳氢基团、可选取代的杂环基团等，环A是单环芳香环，可选地进一步具有取代基，R1a和R1b可选择性地连接在一起形成可选取代的含氮非芳香杂环，或其盐或前药。本发明的凝血酶受体拮抗剂具有凝血酶受体（特别是PAR-1）拮抗作用，可用于预防或治疗PAR-1介导的病理状态或疾病。
• Triazole derivative and use thereof
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US07803822B2

  公开（公告）日：2010-09-28

  The present invention relates to a thrombin receptor antagonist containing a compound represented by the formula (I) wherein R1a, R1b and R2 are each a hydrogen atom, an optionally substituted hydrocarbon group, an optionally substituted heterocyclic group, or an optionally substituted alkoxy, R3 is a group represented by the formula —NHCOR4, —NHSO2R5, —NHCON(R6a)(R6b), —NHCOOR7 or —CONHR8 wherein R4, R5, R6a, R6b, R7 and R8 are each a hydrogen atom, an optionally substituted hydrocarbon group, an optionally substituted heterocyclic group and the like), ring A is monocyclic aromatic ring optionally further having substituent(s), R1a and R1b are optionally bonded to each other to form an optionally substituted nitrogen-containing non-aromatic heterocycle, or a salt thereof or a prodrug thereof. The thrombin receptor antagonist of the present invention has a thrombin receptor (particularly PAR-1) antagonistic action and is useful for the prophylaxis or treatment of PAR-1 mediated pathological condition or disease.

  本发明涉及含有式(I)所表示的化合物的凝血酶受体拮抗剂，其中R1a、R1b和R2分别是氢原子、可选取代的碳氢基团、可选取代的杂环基团或可选取代的烷氧基，R3是由式—NHCOR4、—NHSO2R5、—NHCON(R6a)(R6b)、—NHCOOR7或—CONHR8所表示的基团，其中R4、R5、R6a、R6b、R7和R8分别是氢原子、可选取代的碳氢基团、可选取代的杂环基团等，环A是单环芳香环，可选地进一步具有取代基，R1a和R1b可选地相互连接以形成可选取代的含氮非芳香杂环，或其盐或前药。本发明的凝血酶受体拮抗剂具有凝血酶受体（特别是PAR-1）拮抗作用，可用于预防或治疗PAR-1介导的病理状态或疾病。
• TRIAZOLE DERIVATIVE AND THE USE THEREOF
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1867331A1

  公开（公告）日：2007-12-19

  The present invention relates to a thrombin receptor antagonist containing a compound represented by the formula (I) wherein R1a, R1b and R2 are each a hydrogen atom, an optionally substituted hydrocarbon group, an optionally substituted heterocyclic group, or an optionally substituted alkoxy, R3 is a group represented by the formula -NHCOR4, -NHSO2R5, -NHCON(R6a) (R6b), -NHCOOR7 or -CONHR8 wherein R4, R5, R6a, R6b, R7 and R8 are each a hydrogen atom, an optionally substituted hydrocarbon group, an optionally substituted heterocyclic group and the like), ring A is monocyclic aromatic ring optionally further having substituent(s), R1a and R1b are optionally bonded to each other to form an optionally substituted nitrogen-containing non-aromatic heterocycle, or a salt thereof or a prodrug thereof. The thrombin receptor antagonist of the present invention has a thrombin receptor (particularly PAR-1) antagonistic action and is useful for the prophylaxis or treatment of PAR-1 mediated pathological condition or disease.

  本发明涉及一种凝血酶受体拮抗剂，其中含有由式（I）代表的化合物 其中 R1a、R1b 和 R2 各为氢原子、任选取代的烃基、任选取代的杂环基团或任选取代的烷氧基，R3 为由式 -NHCOR4、-NHSO2R5、-NHCON(R6a) (R6b)、-NHCOOR7 或 -CONHR8 所代表的基团，其中 R4、R5、R6a、R6b、R7 和 R8 各为氢原子、任选取代的烃基、任选取代的杂环基等），环 A 是单环芳香环，任选进一步具有取代基，R1a 和 R1b 任选相互键合以形成任选取代的含氮非芳香杂环，或其盐或其原药。本发明的凝血酶受体拮抗剂具有凝血酶受体（尤其是 PAR-1）拮抗作用，可用于预防或治疗 PAR-1 介导的病理状态或疾病。
• US7803822B2
  申请人：——

  公开号：US7803822B2

  公开（公告）日：2010-09-28
• EP1867331
  申请人：——

  公开号：——

  公开（公告）日：——