N-Methyl-N-(3,5-dimethylphenyl)-2-[3-[N-[2-[3-(3-cyanophenyl)ureido]acetyl]-N-(N-methyl-N-phenylcarbamoylmethyl)amino]phenoxy]acetamide | 183176-99-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: N-Methyl-N-(3,5-dimethylphenyl)-2-[3-[N-[2-[3-(3-cyanophenyl)ureido]acetyl]-N-(N-methyl-N-phenylcarbamoylmethyl)amino]phenoxy]acetamide
• 英文别名: 2-[(3-cyanophenyl)carbamoylamino]-N-[2-(N-methylanilino)-2-oxoethyl]-N-[3-[2-oxo-2-(N,3,5-trimethylanilino)ethoxy]phenyl]acetamide
• CAS: 183176-99-0
• 化学式: C₃₆H₃₆N₆O₅
• 分子量: 632.719
• InChiKey: QLNHIYHOVBRXHM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  47
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  135
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• AMINOPHENOL DERIVATIVES
  申请人：DAIICHI PHARMACEUTICAL CO., LTD.

  公开号：EP0985660A1

  公开（公告）日：2000-03-15

  Aminophenol derivatives represented by the following formula (1): wherein X is O or S; A is alkylene, R1 is phenyl, etc., R2 and R3 are H or alkyl; R4 is substituted carbamoylalkyl, etc.; R5 is substituted amino, etc.; their salts, and optical isomers of the derivatives and salts. Also disclosed are gastrin receptor antagonists, cholecystokinin receptor antagonists, and medicines for digestive diseases. The compounds have strong binding inhibition against gastrin receptor or CCK-A receptor and also they have higher selectivity to either group of CCK-A receptor or gastrin receptor, and therefore, the compounds are useful for preventing and treating gastrointestinal diseases including peptic ulcers as well as central nervous system diseases.

  由下式（1）代表的氨基苯酚衍生物： 其中X为O或S；A为亚烷基，R1为苯基等，R2和R3为H或烷基；R4为取代的氨基甲酰基等；R5为取代的氨基等；它们的盐，以及衍生物和盐的光学异构体。还公开了胃泌素受体拮抗剂、胆囊收缩素受体拮抗剂和治疗消化系统疾病的药物。这些化合物对胃泌素受体或 CCK-A 受体有很强的结合抑制作用，而且它们对 CCK-A 受体或胃泌素受体中的任何一组都有较高的选择性，因此，这些化合物可用于预防和治疗胃肠道疾病，包括消化性溃疡以及中枢神经系统疾病。