(2S)-2-[(4-methoxyphenyl)methylamino]-3-[4-(3-phenylpropylcarbamoyl)phenyl]propanoic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (2S)-2-[(4-methoxyphenyl)methylamino]-3-[4-(3-phenylpropylcarbamoyl)phenyl]propanoic acid
• 化学式: C₂₇H₃₀N₂O₄
• 分子量: 446.5
• InChiKey: KYVLETCOTCDIFX-VWLOTQADSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  33
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  87.7
• 氢给体数：
  3
• 氢受体数：
  5

文献信息

• Novel PPAR-gamma agonists as agents for the treatment of type II diabetes
  申请人：——

  公开号：US20040171656A1

  公开（公告）日：2004-09-02

  Disclosed are compounds of the formula: 1 or the pharmaceutically acceptable non-toxic salts thereof wherein: Z is aryl or heteroaryl; n and m are 0, 1 or 2; A is a carboxylic acid or ester; or A is 2 where D, F and G are hydrogen, (un)substituted amino, (un)substituted alkoxy, methylene or an (un)substituted sulfide; X is N, O, CH 2 , S, SO or SO 2 ; R 4 is oxo, hydrogen, hydroxy, lower alkyl, lower alkoxy, cycloalkyl, keto, acyl, or sulfonyl; Y is hydrogen, (un)substituted amino, (un)substituted alkoxy, methylene, an (un)substituted sulfide, (un)substituted sulfonyl or an (un)substituted sulfoxide; and R 5 , R 6 and R 8 are hydrogen, lower alkyl, lower alkoxy, cycloalkyl, keto, acyl, or sulfonyl; or R 5 and R 6 together form a ring. These [N-(substituted)carbamoylaryl- and heteroaryl aminopropanoic and butanoic acid compounds are highly selective agonists for the PPAR-&ggr; receptor or prodrugs of agonists for the PPAR-&ggr; receptor. Thus these compounds are useful in the treatment of Type II diabetes (NIDDM).

  本发明公开了以下式子的化合物 1 或其药学上可接受的无毒盐 其中 Z 是芳基或杂芳基； n 和 m 为 0、 1 或 2; A 是羧酸或酯；或 A 是 2 其中 D、F 和 G 是氢、（未）取代的氨基、（未）取代的烷氧基、亚甲基或 （未）取代的硫化物； X 是 N、O、CH 2 S、SO 或 SO 2 ; R 4 是氧代、氢、羟基、低级烷基、低级烷氧基、环烷基、酮基、酰基或磺酰基； Y 是氢、（未）取代的氨基、（未）取代的烷氧基、亚甲基、（未）取代的硫醚、 （未）取代的磺酰基或（未）取代的亚砜；以及 R 5 , R 6 和 R 8 是氢、低级烷基、低级烷氧基、环烷基、酮基、酰基或磺酰基；或 R 5 和 R 6 共同形成一个环。 这些[N-（取代的）氨基甲酰基和杂芳基氨基丙酸和丁酸化合物是 PPAR-&ggr; 受体的高选择性激动剂或 PPAR-&ggr; 受体激动剂的原药。因此，这些化合物可用于治疗 II 型糖尿病（NIDDM）。
• PPAR-(GAMMA) AGONISTS AS AGENTS FOR THE TREATMENT OF TYPE II DIABETES
  申请人：Coelacanth Corporation

  公开号：EP1173408A1

  公开（公告）日：2002-01-23
• US6713514B1
  申请人：——

  公开号：US6713514B1

  公开（公告）日：2004-03-30
• [EN] PPAR-(GAMMA) AGONISTS AS AGENTS FOR THE TREATMENT OF TYPE II DIABETES<br/>[FR] AGONISTES PPAR-(GAMMA) EN TANT QU'AGENTS DE TRAITEMENT DU DIABETE DE TYPE II
  申请人：COELACANTH CORP

  公开号：WO2000063161A1

  公开（公告）日：2000-10-26

  Disclosed are compounds of formula (I) or the pharmaceutically acceptable non-toxic salts thereof wherein: Z is aryl or heteroaryl; n and m are 0, 1 or 2; A is a carboxylic acid or ester; or A is formula (II) where D, F and G are hydrogen, (un)substituted amino, (un)substituted alkoxy, methylene or an (un)substituted sulfide; X is N, O, CH2, S, SO or SO2; R4 is oxo, hydrogen, hydroxy, lower alkyl, lower alkoxy, cycloalkyl, keto, acyl, or sulfonyl; Y is hydrogen, (un)substituted amino, (un)substituted alkoxy, methylene, an (un)substituted sulfide, (un)substituted sulfonyl or an (un)substituted sulfoxide; and R5, R6 and R8 are hydrogen, lower alkyl, lower alkoxy, cycloalkyl, keto, acyl, or sulfonyl; or R5 and R6 together form a ring. The compounds are highly selective agonists for the PPAR-η receptor or prodrugs of agonists for the PPAR-η receptor. Thus these compounds are useful in the treatment Type II diabetes (NIDDM).