(4S,8S,9S,13Z,16S)-4-hydroxy-5,5,7,8,9,13-hexamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• 英文名称: (4S,8S,9S,13Z,16S)-4-hydroxy-5,5,7,8,9,13-hexamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione
• 化学式: C₂₈H₄₃NO₄S
• 分子量: 489.7
• InChiKey: ZHHNCGQSGUIMAJ-MUHBBYJKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  34
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  105
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• Use of Epothilone D in Treating Tau-Associated Diseases Including Alzheimer's Disease
  申请人：Bristol-Myers Squibb Company

  公开号：US20140135367A1

  公开（公告）日：2014-05-15

  Methods of treating Tau-associated diseases, preferably tauopathies, are described using epothilone D that exhibit good brain penetration, long half-life, and high selective retention in brain, and provides effective therapies in treating tauopathies including Alzheimer's disease.