2S-{2R-[(Formyl-hydroxy-amino)-methyl]-hexanoylamino}-3,3-dimethyl butyric acid 1-methyl-piperidin-4-yl ester | 234768-54-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: 2S-{2R-[(Formyl-hydroxy-amino)-methyl]-hexanoylamino}-3,3-dimethyl butyric acid 1-methyl-piperidin-4-yl ester
• 英文别名: (1-methylpiperidin-4-yl) (2S)-2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-3,3-dimethylbutanoate
• CAS: 234768-54-8
• 化学式: C₂₀H₃₇N₃O₅
• 分子量: 399.531
• InChiKey: NEHHDAXXIBANEV-NVXWUHKLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  28
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  99.2
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• N-FORMYL HYDROXYLAMINE DERIVATIVES AS ANTIBACTERIAL AGENTS
  申请人：BRITISH BIOTECH PHARMACEUTICALS LIMITED

  公开号：EP1140058A1

  公开（公告）日：2001-10-10
• ANTI-INFLAMMATORY AGENTS
  申请人：BRITISH BIOTECH PHARMACEUTICALS LIMITED

  公开号：EP1146868A1

  公开（公告）日：2001-10-24
• [EN] N-FORMYL HYDROXYLAMINE DERIVATIVES AS ANTIBACTERIAL AGENTS<br/>[FR] DERIVES D'HYDROXYLAMINE N-FORMYLE UTILISES COMME AGENTS ANTIBACTERIENS
  申请人：BRITISH BIOTECH PHARM

  公开号：WO2000035440A1

  公开（公告）日：2000-06-22

  Compounds of formula (I) are in the preparation of antibacterial agents, wherein: R1 represents hydrogen, C1-C6 alkyl or C1-C6 alkyl substituted by one or more halogen atoms; R2 represents a group R10-(X)n-(ALK)-wherein R10 represents hydrogen, a C1-C6 alkyl, C2-C6 alkenyl, C2-C6 alkynyl, cycloalkyl, aryl, or heterocyclyl group, any of which may be unsubstituted or substituted by (C1-C6)alkyl, (C1-C6)alkoyy, hydroxy, mercapto, (C1-C6)alkylthio, amino, halo, trifluoromethyl, cyano, nitro, -COOH, -CONH2, -COORA, -NHCORA, -CONHR?A, -NHRA, -NRARB¿, or -CONRARB wherein R?A and RB¿ are independently a (C¿1?-C6)alkyl group, and ALK represents a straight or branched divalent C1-C6 alkylene, C2-C6 alkenylene, or C2-C6 alkynylene radical, which may be interrupted by one or more non-adjacent -NH-, -O- or -S- linkages, X represents -NH-, -O- or -S-, and n is 0 or 1, R represents hydrogen or C1-C6 alkyl, R3 represents the characterising group or a natural or non-natural α amino acid in which any functional groups may be protected; and R4 represents an ester or thioester group.
• [EN] ANTI-INFLAMMATORY AGENTS<br/>[FR] AGENTS ANTI-INFLAMMATOIRES
  申请人：BRITISH BIOTECH PHARM

  公开号：WO2000043001A1

  公开（公告）日：2000-07-27

  Compounds of formula (I) wherein R4 is an ester or thioester group, and R, R1, R2 and R3 are as defined in the specification, inhibit intracellular leukotriene-A4 hydrolase activity and have anti-inflammatory activity.