N-[5-((R)-2-{1-[4-(2,4-Dioxo-thiazolidin-5-ylmethyl)-phenyl]-piperidin-4-ylamino}-1-hydroxy-ethyl)-2-hydroxy-phenyl]-methanesulfonamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: N-[5-((R)-2-{1-[4-(2,4-Dioxo-thiazolidin-5-ylmethyl)-phenyl]-piperidin-4-ylamino}-1-hydroxy-ethyl)-2-hydroxy-phenyl]-methanesulfonamide
• 英文别名: N-[5-[(1R)-2-[[1-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]piperidin-4-yl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide
• 化学式: C₂₄H₃₀N₄O₆S₂
• 分子量: 534.657
• InChiKey: LYCJVGDAEAJXKC-HMTLIYDFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  36
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  182
• 氢给体数：
  5
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  (R)-N-[5-(2-溴-1-羟乙基)-2-(苯基甲氧基)苯基]甲磺酰胺 在 palladium on activated charcoal sodium azide 、 氢气 、 三乙酰氧基硼氢化钠 作用下， 以 甲醇 、 二甲基亚砜 、 N,N-二甲基甲酰胺 为溶剂， 生成 N-[5-((R)-2-{1-[4-(2,4-Dioxo-thiazolidin-5-ylmethyl)-phenyl]-piperidin-4-ylamino}-1-hydroxy-ethyl)-2-hydroxy-phenyl]-methanesulfonamide
  参考文献：
  名称：

  2,4-thiazolidinediones as potent and selective human β3 agonists

  摘要：

  Methylsulfonamide substituted 2,4-thiazolidinedione 22c is a potent (EC50 = 0.01 muM, IA = 1.19) and selective (more than 110-fold over beta (1) and beta (2) agonist activity) beta (3) agonist. This compound has also been proven to be active and selective in an in vivo mode. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00063-4

文献信息

• 2,4-thiazolidinediones as potent and selective human β3 agonists
  作者：Baihua Hu、John Ellingboe、Iwan Gunawan、Stella Han、Elwood Largis、Zenan Li、Michael Malamas、Ruth Mulvey、Alexander Oliphant、Fuk-Wah Sum、Jeff Tillett、Victoria Wong

  DOI：10.1016/s0960-894x(01)00063-4

  日期：2001.3

  Methylsulfonamide substituted 2,4-thiazolidinedione 22c is a potent (EC50 = 0.01 muM, IA = 1.19) and selective (more than 110-fold over beta (1) and beta (2) agonist activity) beta (3) agonist. This compound has also been proven to be active and selective in an in vivo mode. (C) 2001 Elsevier Science Ltd. All rights reserved.