(2S)-2-[(2-methylpropan-2-yl)oxy]butanoic acid

• 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: (2S)-2-[(2-methylpropan-2-yl)oxy]butanoic acid
• 化学式: C₈H₁₆O₃
• 分子量: 160.21
• InChiKey: SXKMSMFLUMLWHE-LURJTMIESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• PURINE DERIVATIVE COMPOUNDS FOR MEDICAL USE
  申请人：MANROS THERAPEUTICS

  公开号：US20150320753A1

  公开（公告）日：2015-11-12

  A method for treatment of disease by reduction in macrophages-mediated bacterial killing, including administration to patients in need a compound of formula (I): wherein A is N or CH; B is NO, or S; R 1 is H, (C 1 -C 4 )alkyl group, methyl(C 1 -C 6 )cycloalkyl group or (C 1 -C 6 )cycloalkyl group; R 2 is an aryl, arylmethyl group or methylheteroaryl group as methylpyridine and methylthiophene; R 3 is absent when B is O or S, or is H or (C 1 -C 4 )alkyl group when B is N; R 4 is (C 1 -C 5 )alkyl group or (C 1 -C 4 )cycloalkyl group, groups bearing a carboxylic acid group, and (C 1 -C 5 )alkyl group or (C 1 -C 4 )cycloalkyl substituted by hydroxyl group, halogen group or methoxy group, when B is N, R 3 and R 4 can together form a 5- or 6-membered heterocycle substituted by carboxylic acid group, substituted by a halogen atom, hydroxyl group, methoxy group or hydroxymethyl group, or pharmaceutically acceptable salt. Also provided are new compounds relating to this use.

  一种通过减少巨噬细胞介导的细菌杀伤治疗疾病的方法，包括向需要治疗的患者给予式(I)的化合物：其中A是N或CH；B是NO或S；R1是H，(C1-C4)烷基，甲基(C1-C6)环烷基或(C1-C6)环烷基；R2是芳基，芳基甲基基或甲基杂环芳基，如甲基吡啶和甲基噻吩；当B为O或S时，R3不存在，或者当B为N时，R3是H或(C1-C4)烷基；R4是(C1-C5)烷基或(C1-C4)环烷基，带有羧酸基团，以及(C1-C5)烷基或(C1-C4)环烷基被羟基基团，卤素基团或甲氧基团取代，当B为N时，R3和R4可以共同形成一个被羧酸基团取代的5-或6-成员杂环，在卤素原子，羟基基团，甲氧基团或羟甲基基团取代。还提供了与此用途相关的新化合物。