3-(2-Methylbutan-2-yl)-5-(2-methylpentan-2-yl)-1,2,4-oxadiazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(2-Methylbutan-2-yl)-5-(2-methylpentan-2-yl)-1,2,4-oxadiazole
• 英文别名: 3-(2-methylbutan-2-yl)-5-(2-methylpentan-2-yl)-1,2,4-oxadiazole
• 化学式: C₁₃H₂₄N₂O
• 分子量: 224.34
• InChiKey: RLDQUSQWOFJQCC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  38.9
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• Compositions and Methods for Treating Myotonic Dystrophy Type 1
  申请人：UNIVERSITY OF SOUTHERN CALIFORNIA

  公开号：US20140121236A1

  公开（公告）日：2014-05-01

  Disclosed is a compound for treatment of Myotonic Dystrophy type 1 having the formula: Wherein X is selected from the group consisting of O, N, C, or S, Y is a homo- or heteroatomic 5-membered ring comprising one or more atoms selected from the group consisting of N, O, S, and C, Z is an optionally substituted aryl group or optionally substituted heteroaryl, including but not limited to halogenated benzenes, pyridines, substituted benzene, substituted pyridine, R 2 =hydroxy, acyl, alkoxyl, esters, ethers, cyclic ethers, and lactones, R 3 =H, alkyl, an optionally substituted alkyl, aliphatic ether, ester, cyclic unsaturated and aromatic ring groups, and R 1 , R 4 and R 5 are independently selected from the group consisting of hydrogen, halogen, alkyl, and alkoxyl or a pharmaceutically or cosmetically acceptable salt, solvate, or hydrate thereof.

  本发明涉及一种用于治疗肌强直性萎缩症1型的化合物，其化学式为：其中X选自O、N、C或S组成的群，Y是含有一种或多种选自N、O、S和C的原子的同核或异核5元环，Z是可选取取代基的芳基或可选取取代基的杂环芳基，包括但不限于卤代苯、吡啶、取代苯、取代吡啶，R2=羟基、酰基、烷氧基、酯、醚、环醚和内酯，R3=H、烷基、可选取代的烷基、脂肪醚、酯、环状不饱和和芳香环基，R1、R4和R5独立地选自氢、卤素、烷基和烷氧基，或其药学上或化妆品上可接受的盐、溶剂或水合物。