3-(3-amidinophenyl)-5-[(((N-acetimidoylpiperidin-4-yl)methyl)amino)methyl]benzoic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-(3-amidinophenyl)-5-[(((N-acetimidoylpiperidin-4-yl)methyl)amino)methyl]benzoic acid
• 英文别名: 3-(3-Carbamimidoylphenyl)-5-[[(1-ethanimidoylpiperidin-4-yl)methylamino]methyl]benzoic acid
• 化学式: C₂₃H₂₉N₅O₂
• 分子量: 407.516
• InChiKey: RTCFAKJALGPTCM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  126
• 氢给体数：
  5
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  methyl 3-(3-amidinophenyl)-5-[(((N-acetimidoylpiperidin-4-yl)methyl)amino)methyl]benzoate 在 盐酸 作用下， 以 水 为溶剂， 反应 24.0h， 以76%的产率得到3-(3-amidinophenyl)-5-[(((N-acetimidoylpiperidin-4-yl)methyl)amino)methyl]benzoic acid
  参考文献：
  名称：

  EP1179527

  摘要：

  公开号：

文献信息

• 3-(3-Amidinophenyl)-5-[({[1-(1-(iminoethyl)-4-piperidyl}amino)methyl]benzoic acid dihydrochloride and process for preparing the same
  申请人：——

  公开号：US20040053967A1

  公开（公告）日：2004-03-18

  A process for preparing an amidine derivative represented by the following formula (II), wherein R represents a hydrogen atom or a phenyl group, which comprises reducing an amideoxime derivative represented by the following formula (I), wherein R represents a hydrogen atom or a phenyl group, with zinc in an acetic acid solvent, or a salt thereof. 1

  一种制备以下式子（II）所代表的酰胺衍生物的方法，其中R代表氢原子或苯基，包括将以下式子（I）所代表的酰胺肟衍生物，其中R代表氢原子或苯基，与锌在乙酸溶剂或其盐中还原。
• 3-(3-AMIDINOPHENYL)-5- ( 1-(1-(-IMINOETHYL)-4-PIPERIDYL AMINO)METHYL]BENZOIC ACID DIHYDROCHLORIDE AND PROCESS FOR PREPARING THE SAME
  申请人：TEIJIN LIMITED

  公开号：EP1363882A1

  公开（公告）日：2003-11-26
• EP1363882A4
  申请人：——

  公开号：EP1363882A4

  公开（公告）日：2005-11-30
• Medicinal composition
  申请人：——

  公开号：US20040092480A1

  公开（公告）日：2004-05-13

  A pharmaceutical composition comprising a biphenylamidine derivative, particles for nucleus and a binder. Specifically, a pharmaceutical composition obtained by coating the particles for nucleus with the biphenylamidine derivative and the binder.
• [EN] 3-(3-AMIDINOPHENYL)-5-[({[1-(1-(-IMINOETHYL)-4-PIPERIDYL}AMINO)METHYL]BENZOIC ACID DIHYDROCHLORIDE AND PROCESS FOR PREPARING THE SAME<br/>[FR] DIHYDROCHLORURE D'ACIDE 3-(3-AMIDINOPHENYL)-5-[({[1-(1-(-IMINOETHYL)-4-PIPERIDYL}AMINO)METHYL]BENZOIQUE, ET PROCEDE D'ELABORATION
  申请人：TEIJIN LTD

  公开号：WO2002060873A1

  公开（公告）日：2002-08-08

  A process for preparing an amidine derivative represented by the following formula (II), wherein R represents a hydrogen atom or a phenyl group, which comprises reducing an amideoxime derivative represented by the following formula (I), wherein R represents a hydrogen atom or a phenyl group, with zinc in an acetic acid solvent, or a salt thereof.