N-(2-aminophenyl)-4-[3-(2,3-dihydrobenzo[1,4]dioxin-6-yl)-1-[3-(4-methylpiperazin-1-yl)propyl]ureidomethyl]benzamide | 1034491-94-5

• 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: N-(2-aminophenyl)-4-[3-(2,3-dihydrobenzo[1,4]dioxin-6-yl)-1-[3-(4-methylpiperazin-1-yl)propyl]ureidomethyl]benzamide
• 英文别名: N-(2-aminophenyl)-4-[[2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl-[3-(4-methylpiperazin-1-yl)propyl]amino]methyl]benzamide
• CAS: 1034491-94-5
• 化学式: C₃₁H₃₈N₆O₄
• 分子量: 558.681
• InChiKey: FYECAMWXPUGXIJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  41
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  112
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  N-(2-t-butoxycarbonylaminophenyl)-4-[3-(2,3-dihydrobenzo[1,4]dioxin-6-yl)-1-[3-(4-methylpiperazin-1-yl)propyl]ureidomethyl]benzamide 在 盐酸 、 碳酸氢钠 作用下， 以 甲醇 、 乙酸乙酯 、 水 为溶剂， 反应 2.5h， 以82%的产率得到N-(2-aminophenyl)-4-[3-(2,3-dihydrobenzo[1,4]dioxin-6-yl)-1-[3-(4-methylpiperazin-1-yl)propyl]ureidomethyl]benzamide
  参考文献：
  名称：

  NOVEL N-(2-AMINOPHENYL)BENZAMIDE DERIVATIVE HAVING AN UREA STRUCTURE

  摘要：

  公开号：

  EP2107052B1

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。
• US8076332B2
  申请人：——

  公开号：US8076332B2

  公开（公告）日：2011-12-13
• 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