3-(5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl)-2H-chromen-2-one | 312703-56-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 3-(5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl)-2H-chromen-2-one
• 英文别名: 3-[5-(3-Bromo-phenyl)-[1,3,4]oxadiazol-2-yl]-chromen-2-one；3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one
• CAS: 312703-56-3
• 化学式: C₁₇H₉BrN₂O₃
• mdl: MFCD01537313
• 分子量: 369.174
• InChiKey: LIXGJKMGQNZIHA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  65.2
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• Compositions and Methods for Treating Myotonic Dystrophy Type 1
  申请人：REDDY Sita

  公开号：US20140051709A1

  公开（公告）日：2014-02-20

  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.

  揭示了一种用于治疗肌萎缩性肌病型1的化合物，其化学式为：其中X选自O、N、C或S组成的群，Y是一个由N、O、S和C组成的原子选自的同源或异源5-成员环，Z是一个可选择取代的芳基或可选择取代的杂环烃基，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、一个可选择取代的烷基、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、溶剂合物或水合物。