methyl 6-amino-2,2-dimethylhexanoate | 42492-43-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: methyl 6-amino-2,2-dimethylhexanoate
• 英文别名: 6-Amino-2,2-dimethyl-capronsaeure-methylester
• CAS: 42492-43-3
• 化学式: C₉H₁₉NO₂
• 分子量: 173.255
• InChiKey: LVHQJSYYYWJPRZ-UHFFFAOYSA-N

物化性质

• 沸点：
  220.1±23.0 °C(Predicted)
• 密度：
  0.940±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 6-amino-2,2-dimethylhexanoate 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 10.0h， 生成 2,2-dimethyl-6-<(4-phenyl-2-quinolyl)amino>hexanoic acid
  参考文献：
  名称：

  .omega.-[(4-Phenyl-2-quinolyl)oxy]alkanoic acid derivatives: a new family of potent LTB4 antagonists

  摘要：

  A series of omega-[(4-phenyl-2-quinolyl)oxy]alkanoic acid derivatives was prepared which inhibited the binding of the leukotriene B4 to its receptors on guinea pig spleen membranes and on human polymorphonuclear leukocytes. A structure-activity relationship was investigated. The length of the carboxylic acid side chain was important for potent binding activity. The replacement of the oxygen atom at the beginning of the chain with other polar or nonpolar linking groups led to considerable loss of potency, indicating that the oxygen linking atom might be involved in the receptor recognition. Alpha-Substitution on the carboxylic acid side chain led to substantially more potent compounds. Substitution on the phenyl ring and on the quinoline ring was also evaluated.

  DOI：

  10.1021/jm00101a007
• 作为产物：
  描述：

  异丁酸甲酯 在 镍 ammonium hydroxide 、 氢气 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 乙醇 、 苯 为溶剂， 生成 methyl 6-amino-2,2-dimethylhexanoate
  参考文献：
  名称：

  Cefelin,P. et al., Collection of Czechoslovak Chemical Communications, 1973, vol. 38, p. 1339 - 1342

  摘要：

  DOI：

文献信息

• Substituted bicyclic bis-aryl compounds exhibiting selective leukotriene
  申请人：Rhone-Poulenc Rorer S.A.

  公开号：US05366982A1

  公开（公告）日：1994-11-22

  This invention relates to compounds having selective LTB.sub.4 antagonist properties, compositions comprising said compounds and methods for the treatment of disorders involving LTB.sub.4 agonist-mediated activity utilizing said compositions wherein the compounds are described by the general formula ##STR1## and pharmaceutically acceptable salts thereof.

  本发明涉及具有选择性LTB.sub.4拮抗性的化合物，包括所述化合物的组合物以及利用所述组合物治疗涉及LTB.sub.4激动剂介导活性的疾病的方法，其中所述化合物由一般公式##STR1##和其药用可接受的盐描述。
• Substituted quinolyl compounds exhibiting selective leukotriene B.sub.4
  申请人：Rhone-Poulenc Rorer S.A.

  公开号：US05492915A1

  公开（公告）日：1996-02-20

  This invention relates to compounds having selective LTB.sub.4 antagonist properties. Therapeutic compositions comprising said compounds and methods for the treatment of disorders involving LTB.sub.4 agonist-mediated activity utilizing said compositions wherein the compounds are described by the formula ##STR1## wherein R.sub.4, X, R, Y, R', Q, m and n are herein defined, and pharmaceutically acceptable salts thereof.

  本发明涉及具有选择性LTB.sub.4拮抗剂特性的化合物。包括该化合物的治疗组合物和使用该组合物治疗涉及LTB.sub.4激动剂介导的活性的疾病的方法，其中该化合物由以下式子描述：##STR1## 其中R.sub.4、X、R、Y、R'、Q、m和n在此定义，并且其药学上可接受的盐。
• SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS
  申请人：RHONE-POULENC RORER S.A.

  公开号：EP0540604A1

  公开（公告）日：1993-05-12
• US5366982A
  申请人：——

  公开号：US5366982A

  公开（公告）日：1994-11-22
• US5492915A
  申请人：——

  公开号：US5492915A

  公开（公告）日：1996-02-20