(2S)-2-{[4-(4-{[((2R)-2-Hydroxy-2-{4-hydroxy-3-[(methylsulfonyl)amino]phenyl}-ethyl)amino]methyl}piperidin-1-yl)benzoyl]amino}-3-phenylpropanoic 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-(4-{[((2R)-2-Hydroxy-2-{4-hydroxy-3-[(methylsulfonyl)amino]phenyl}-ethyl)amino]methyl}piperidin-1-yl)benzoyl]amino}-3-phenylpropanoic acid
• 英文别名: (2S)-2-[[4-[4-[[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]methyl]piperidin-1-yl]benzoyl]amino]-3-phenylpropanoic acid
• 化学式: C₃₁H₃₈N₄O₇S
• 分子量: 610.731
• InChiKey: BNCCDXYOEGWOOI-YTMVLYRLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  43
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  177
• 氢给体数：
  6
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  对氟苯甲酸乙酯 在 sodium hydroxide 、 potassium carbonate 、 2-碘酰基苯甲酸 作用下， 以 甲醇 、 二甲基亚砜 、 乙腈 为溶剂， 生成 (2S)-2-{[4-(4-{[((2R)-2-Hydroxy-2-{4-hydroxy-3-[(methylsulfonyl)amino]phenyl}-ethyl)amino]methyl}piperidin-1-yl)benzoyl]amino}-3-phenylpropanoic acid
  参考文献：
  名称：

  Novel substituted 4-aminomethylpiperidines as potent and selective human β3-agonists. Part 2: Arylethanolaminomethylpiperidines

  摘要：

  The synthesis and SAR of a series of beta(3) adrenoreceptor agonists based on a novel template derived from 4-aminomethylpiperidine coupled with a common pharmacophore, arylethylamine, is described. This combination led to the identification of human beta(3) adrenoreceptor agonists with in vivo activity in a transgenic mouse model. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00608-x

文献信息

• Substituted 2- (S) -hydroxy-3- (piperidin-4-yl-methylamino) -propyl ethers and substituted 2-aryl-2- (R) - hydroxy-1- (piperidin-4-yl-methyl) -ethylamine beta-3 adrenergic receptor agonists
  申请人：American Home Products Corporation

  公开号：US20020037907A1

  公开（公告）日：2002-03-28

  This invention provides compounds of Formula I having the structure 1 wherein A, B, Z, R and R 1 are as defined hereinbefore, or a pharmaceutically acceptable salt thereof, which are useful in treating or inhibiting metabolic disorders related to insulin resistance or hyperglycemia (typically associated with obesity or glucose intolerance), atherosclerosis, gastrointestinal disorders, neurogenetic inflammation, glaucoma, ocular hypertension and frequent urination; and are particularly useful in the treatment or inhibition of type II diabetes.

  这项发明提供了具有结构式1的化合物，其中A、B、Z、R和R1如前文所定义，或其药学上可接受的盐，用于治疗或抑制与胰岛素抵抗或高血糖相关的代谢紊乱（通常与肥胖或葡萄糖不耐受有关）、动脉粥样硬化、胃肠道疾病、神经炎症、青光眼、眼压增高和频繁排尿；特别适用于治疗或抑制2型糖尿病。
• US6506901B2
  申请人：——

  公开号：US6506901B2

  公开（公告）日：2003-01-14
• [EN] SUBSTITUTED 2-(S)-HYDROXY-3-(PIPERIDIN-4-YL-METHYLAMINO)-PROPYL ETHERS AND SUBSTITUTED 2-ARYL-2-(R)-HYDROXY-1-(PIPERIDIN-4-YL-METHYL)-ETHYLAMINE BETA-3 ADRENERGIC RECEPTOR AGONISTS<br/>[FR] AGONISTES VIS-A-VIS DE RECEPTEUR ADRENERGIQUE BETA 3 DE 2-(S)-HYDROXY-3-(PIPERIDINE-4-YL-METHYLAMINO)-PROPYL ETHERS SUBSTITUES ET DE 2-ARYL-2-(R)-HYDROXY-1-(PIPERIDINE-4-YL-METHYL)-ETHYLAMINE SUBSTITUEE
  申请人：AMERICAN HOME PROD

  公开号：WO2002006255A2

  公开（公告）日：2002-01-24

  The invention provides compounds of Formula (I) having the structure wherein A, B, Z, R and R1 are as defined hereinbefore, or a pharmaceutically acceptable salt thereof, which are useful in treating or inhibiting metabolic disorders related to insulin resistance or hyperglycemia (typically associated with obesity or glucose intolerance), atherosclerosis, gastrointestinal disorders, neurogenetic inflammation, glaucoma, ocular hypertension and frequent urination; and are particularly useful in the treatment or inhibition of type II diabetes.
• Novel substituted 4-aminomethylpiperidines as potent and selective human β3-agonists. Part 2: Arylethanolaminomethylpiperidines
  作者：Robert J. Steffan、Mark A. Ashwell、William R. Solvibile、Edward Matelan、Elwood Largis、Stella Han、Jeffery Tillet、Ruth Mulvey

  DOI：10.1016/s0960-894x(02)00608-x

  日期：2002.10

  The synthesis and SAR of a series of beta(3) adrenoreceptor agonists based on a novel template derived from 4-aminomethylpiperidine coupled with a common pharmacophore, arylethylamine, is described. This combination led to the identification of human beta(3) adrenoreceptor agonists with in vivo activity in a transgenic mouse model. (C) 2002 Elsevier Science Ltd. All rights reserved.