4-(2-dimethylaminoethylaminomethyl)benzoic acid benzyl ester | 1034494-09-1

• 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: 4-(2-dimethylaminoethylaminomethyl)benzoic acid benzyl ester
• 英文别名: benzyl 4-[[2-(dimethylamino)ethylamino]methyl]benzoate
• CAS: 1034494-09-1
• 化学式: C₁₉H₂₄N₂O₂
• 分子量: 312.412
• InChiKey: HASSDYDGMIIANK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  23
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(2-dimethylaminoethylaminomethyl)benzoic acid benzyl ester 在 palladium 10% on activated carbon 氢气 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 44.0h， 生成 4-[1-(2-dimethylaminoethyl)-3-(indan-5-yl)ureidomethyl] benzoic acid
  参考文献：
  名称：

  NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE

  摘要：

  公开号：

  EP2292611B1
• 作为产物：
  描述：

  4-羟甲基苯甲酸 在 caesium carbonate 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.83h， 生成 4-(2-dimethylaminoethylaminomethyl)benzoic acid benzyl ester
  参考文献：
  名称：

  NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE

  摘要：

  公开号：

  EP2292611B1

文献信息

• NOVEL N- (2-AMINOPHENYL) BENZAMIDE DERIVATIVE HAVING UREA STRUCTURE
  申请人：Mogi Hiroyuki

  公开号：US20090306077A1

  公开（公告）日：2009-12-10

  The present invention relates to a study on the synthesis of a novel N-(2-aminophenyl)benzamide derivative having an urea structure and represented by the general formula (1); and the utilization of a pharmacological effect of the derivative. A compound represented by the general formula (1) or a salt thereof has an effect of cellular morphological change on trabecular meshwork cells and is effective in the prevention and/or treatment of a disease considered to be related to intraocular pressure. In the formula, R 1 and R 2 represent a hydrogen atom, a lower alkyl group, or the like; R 3 represents a hydroxy group, a lower alkoxy group, a lower cycloalkyloxy group, an aryloxy group, or the like; R 4 and R 5 represent a halogen atom, a lower alkyl group, a hydroxy group, a lower alkoxy group, or the like; X represents a lower alkylene group or the like; Y represents a single bond, a lower alkylene group, or the like; l and m represent 0, 1, 2, or the like.

  本发明涉及一种关于合成一种新型N-(2-氨基苯基)苯酰胺衍生物的研究，其具有尿素结构，通式表示为(1)；以及利用该衍生物的药理作用。通式(1)或其盐具有对小梁网状组织细胞的细胞形态学改变作用，并在预防和/或治疗与眼压有关的疾病方面具有有效性。在公式中，R1和R2表示氢原子、较低的烷基或类似物；R3表示羟基、较低的烷氧基、较低的环烷氧基、芳基氧基或类似物；R4和R5表示卤原子、较低的烷基、羟基、较低的烷氧基或类似物；X表示较低的烷基亚基或类似物；Y表示单键、较低的烷基亚基或类似物；l和m表示0、1、2或类似物。
• N- (2-aminophenyl) benzamide derivative having urea structure
  申请人：Santen Pharmaceutical Co., Ltd.

  公开号：US08076332B2

  公开（公告）日：2011-12-13

  The present invention relates to a study on the synthesis of a novel N-(2-aminophenyl)benzamide derivative having an urea structure and represented by the general formula (1); and the utilization of a pharmacological effect of the derivative. A compound represented by the general formula (1) or a salt thereof has an effect of cellular morphological change on trabecular meshwork cells and is effective in the prevention and/or treatment of a disease considered to be related to intraocular pressure. In the formula, R1 and R2 represent a hydrogen atom, a lower alkyl group, or the like; R3 represents a hydroxy group, a lower alkoxy group, a lower cycloalkyloxy group, an aryloxy group, or the like; R4 and R5 represent a halogen atom, a lower alkyl group, a hydroxy group, a lower alkoxy group, or the like; X represents a lower alkylene group or the like; Y represents a single bond, a lower alkylene group, or the like; l and m represent 0, 1, 2, or the like.

  本发明涉及一种新型N-(2-氨基苯基)苯甲酰胺衍生物的合成研究，其具有尿素结构，通式为（1）;以及该衍生物的药理作用的利用。通式（1）或其盐的化合物具有对小梁网状组织细胞的细胞形态改变作用，并且在预防和/或治疗与眼内压相关的疾病方面具有有效性。在该式中，R1和R2代表氢原子，较低的烷基或类似物; R3代表羟基，较低的烷氧基，较低的环烷氧基，芳基氧基或类似物; R4和R5代表卤原子，较低的烷基，羟基，较低的烷氧基或类似物; X代表较低的烷基亚基或类似物; Y代表单键，较低的烷基亚基或类似物; l和m代表0、1、2或类似物。
• Thiophenediamine derivative having urea structure
  申请人：Santen Pharmaceutical Co., Ltd.

  公开号：US08288380B2

  公开（公告）日：2012-10-16

  A compound of formula (1): wherein R1 and R2 represent hydrogen, lower alkyl, lower alkenyl, lower alkynyl or R3 represents hydroxyl, lower alkoxy, lower cycloalkyloxy, aryloxy, carboxy, lower alkoxycarbonyl, or NRaRb of the formula R4 and R5 represent halogen, lower alkyl, hydroxyl, or lower alkoxy; R6 represents halogen, lower alkyl, aryl, heterocyclic, hydroxy, lower alkoxy, mercapto, lower alkylthio, lower alkylcarbonyl, amino, nitro or cyano; R7 represents lower alkyl, hydroxyl or lower alkoxy; Ra and Rb represent hydrogen or lower alkyl; ring A represents a cyclic hydrocarbon or a heterocyclic ring; ring B represents a heterocyclic ring; X represents lower alkylene; Z represents a single bond or lower alkylene; Y represents lower alkylene and W1—W2 represents CH—CH, or Y represents a single bond and W1—W2 represents N—CH, CH—N or CH—CH; and 1, m, n and o represent 0, 1, 2, or 3.

  化合物的式子（1）：其中，R1和R2代表氢、低碳基、低烯基、低炔基或R3代表羟基、低烷氧基、低环烷氧基、芳氧基、羧基、低烷氧羰基或公式NRaRb的氮代基；R4和R5代表卤素、低碳基、羟基或低烷氧基；R6代表卤素、低碳基、芳基、杂环基、羟基、低烷氧基、硫巴、低烷硫基、低烷基氧羰基、氨基、硝基或氰基；R7代表低碳基、羟基或低烷氧基；Ra和Rb代表氢或低碳基；环A代表环烃或杂环；环B代表杂环；X代表低碳基亚烷基；Z代表单键或低碳基亚烷基；Y代表低碳基亚烷基，W1—W2代表CH—CH，或Y代表单键，W1—W2代表N—CH、CH—N或CH—CH；1、m、n和o代表0、1、2或3。
• NOVEL N-(2-AMINOPHENYL)BENZAMIDE DERIVATIVE HAVING AN UREA STRUCTURE
  申请人：Santen Pharmaceutical Co., Ltd

  公开号：EP2107052B1

  公开（公告）日：2011-10-12
• US7232825B2
  申请人：——

  公开号：US7232825B2

  公开（公告）日：2007-06-19