4-[[4-[methyl[2-keto-2-[(4-phenoxyphenyl)amino]ethyl]amino]-1-hexahydropyridyl]methyl]benzoic acid | 943788-25-8

• 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: 4-[[4-[methyl[2-keto-2-[(4-phenoxyphenyl)amino]ethyl]amino]-1-hexahydropyridyl]methyl]benzoic acid
• 英文别名: 4-[[4-[methyl[2-oxo-2-[(4-phenoxyphenyl)amino]ethyl]amino]-1-piperidinyl]methyl]benzoic acid；4-((4-(Methyl(2-oxo-2-(4-phenoxyphenylamino)ethyl)amino)piperidin-1-yl)methyl)benzoic acid；4-[[4-[methyl-[2-oxo-2-(4-phenoxyanilino)ethyl]amino]piperidin-1-yl]methyl]benzoic acid
• CAS: 943788-25-8
• 化学式: C₂₈H₃₁N₃O₄
• 分子量: 473.572
• InChiKey: AKOMTXXTGOMZDI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  35
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  82.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  在 sodium hydroxide 、 水 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 4-[[4-[methyl[2-keto-2-[(4-phenoxyphenyl)amino]ethyl]amino]-1-hexahydropyridyl]methyl]benzoic acid
  参考文献：
  名称：

  Synthesis of N-alkyl glycine amides as potent inhibitors of leukotriene A4 hydrolase

  摘要：

  The synthesis and biological evaluation of a series of N-alkyl glycine amide analogs as LTA(4)-h inhibitors and the importance of the introduction of a benzoic acid group to the potency and pharmacokinetic parameters of our analogs are described. The lead compound in the series, 4q, has excellent potency and oral bioavailability. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.06.046

文献信息

• Amide inhibitors of leukotriene A4 hydrolase
  申请人：Chen Ming

  公开号：US20070155727A1

  公开（公告）日：2007-07-05

  This invention is directed to compounds of formula (I): where r, q, R, R 2 , R 3 , R 4a , R 4b , R 4c , R 5a , R 5b , R 5c , R 6a , R 6b , R 6c , R 7 , R 8 , R 9 and R 10 are described herein, or pharmaceutically acceptable salts, solvates, polymorphs, ammonium ions, N-oxides or prodrugs thereof; which are leukotriene A 4 hydrolase inhibitors and which are therefore useful in treating inflammatory disorders. Pharmaceutical compositions comprising the compounds of the invention and methods of using and preparing the compounds of the invention are also disclosed.

  本发明涉及的化合物的化学式为（I）：其中r、q、R、R2、R3、R4a、R4b、R4c、R5a、R5b、R5c、R6a、R6b、R6c、R7、R8、R9和R10如本文所述，或其药学上可接受的盐、溶剂化合物、多晶形、铵离子、N-氧化物或其前药；这些化合物是白三烯A4水解酶抑制剂，因此在治疗炎症性疾病方面具有用途。本发明还涉及包含所述化合物的药物组合物以及使用和制备所述化合物的方法。
• [EN] AMIDE INHIBITORS OF LEUKOTRIENE A4 HYDROLASE<br/>[FR] AMIDES INHIBITEURS DE LA LEUCOTRIENE A4 HYDROLASE
  申请人：SCHERING AG

  公开号：WO2007079003A2

  公开（公告）日：2007-07-12

  [EN] This invention is directed to compounds of formula (I): where r, q, R, R², R³, R^4a, R^4b, R^4c, R^5a, R^5b, R^5c, R^6a, R^6b, R^6c, R⁷, R⁸, R⁹ and R¹⁰ are described herein, or pharmaceutically acceptable salts, solvates, polymorphs, ammonium ions, N-oxides or prodrugs thereof; which are leukotriene A₄ hydrolase inhibitors and which are therefore useful in treating inflammatory disorders. Pharmaceutical compositions comprising the compounds of the invention and methods of using and preparing the compounds of the invention are also disclosed.
  [FR] La présente invention concerne des composés de formule (I) : dans laquelle r, q, R, R², R³, R^4a, R^4b, R^4c, R^5a, R^5b, R^5c, R^6a, R^6b, R^6c, R⁷, R⁸, R⁹ et R¹⁰ sont tels que décrits ici, ou des sels, des solvates, des polymorphes, des ions ammonium, des N-oxydes ou des promédicaments pharmaceutiquement acceptables de ces composés. Lesdits composés sont des inhibiteurs de la leucotriène A₄ hydrolase et ils sont donc utilisables pour le traitement des inflammations. L'invention concerne également des compositions pharmaceutiques comprenant les composés de l'invention ainsi que des procédés de préparation et d'utilisation des composés de l'invention.