Ethyl 2-[2-formylamino-4-[2-[[(1S,2R)-2-hydroxy-2-(4-hydroxyphenyl)-1-methylethyl]amino]ethyl]phenoxy]acetate hydrobromide | 255733-86-9

• 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: Ethyl 2-[2-formylamino-4-[2-[[(1S,2R)-2-hydroxy-2-(4-hydroxyphenyl)-1-methylethyl]amino]ethyl]phenoxy]acetate hydrobromide
• 英文别名: ethyl 2-[2-formamido-4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenoxy]acetate;hydrobromide
• CAS: 255733-86-9
• 化学式: BrH*C₂₂H₂₈N₂O₆
• 分子量: 497.386
• InChiKey: MBTQPLILXPUDJK-XKZCJYRQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.73
• 重原子数：
  31
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  117
• 氢给体数：
  5
• 氢受体数：
  7

文献信息

• PHENOXYACETIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME
  申请人：Kissei Pharmaceutical Co., Ltd.

  公开号：EP1095932A1

  公开（公告）日：2001-05-02

  The present invention provides novel phenoxyacetic acid derivatives represented by the general formula: [wherein R1 represents a hydroxy group, a lower alkoxy group, an aralkoxy group, an amino group, or a mono or di(lower alkyl)amino group; one of R2 and R3 is a hydrogen atom, a halogen atom, a lower alkyl group or a lower alkoxy group, while the other is a hydrogen atom; R4 represents a halogen atom, a lower alkyl group, a halo(lower alkyl)group, a hydroxy group, a lower alkoxy group, an aralkoxy group, a cyano group, a nitro group, an amino group, a mono or di(lower alkyl)amino group, a carbamoyl group, a mono or di(lower alkyl)carbamoyl group or a group represented by the general formula:         -NHCOR5 (wherein R5 represents a hydrogen atom or a lower alkyl group); the carbon atom marked with (R) represents a carbon atom in R configuration; and the carbon atom marked with (S) represents a carbon atom in S configuration] and pharmaceutically acceptable salts thereof, which have excellent β3-adrenoceptor stimulating effects and are useful as agents for the prevention or treatment of obesity, hyperglycemia, the diseases caused by intestinal hypermotility, pollakiuria, urinary incontinence, depression, or the diseases caused by biliary calculi or hypermotility of biliary tract.

  本发明提供了通式代表的新型苯氧乙酸衍生物： [其中 R1 代表羟基、低级烷氧基、芳烷氧基、氨基或单或二(低级烷基)氨基；R2 和 R3 中的一个是氢原子、卤素原子、低级烷基或低级烷氧基，而另一个是氢原子；R4 代表卤素原子、低级烷基、卤代（低级烷基）基团、羟基、低级烷氧基、芳基烷氧基、氰基、硝基、氨基、一或二（低级烷基）氨基、氨基甲酰基、一或二（低级烷基）氨基甲酰基或通式所代表的基团： -NHCOR5 (其中 R5 代表氢原子或低级烷基）；标有 (R) 的碳原子代表 R 构型的碳原子；和标有 (S) 的碳原子代表 S 构型的碳原子]及其药学上可接受的盐，它们具有优异的 β3-肾上腺素受体刺激作用，可作为预防或治疗肥胖症、高血糖症、肠道高运动性引起的疾病、花粉尿症、尿失禁、抑郁症或胆道结石或胆道高运动性引起的疾病的药物。
• US6538152B1
  申请人：——

  公开号：US6538152B1

  公开（公告）日：2003-03-25