(2S,3S,4S,5R,6S)-6-{4-[(1S,3S,7S,10R,11S,12S,16R)-10-allyl-7-hydroxy-8,8,12,16-tetramethyl-3-(2-methyl-benzothiazol-5-yl)-5,9-dioxo-4,17-dioxa-bicyclo[14.1.0]heptadec-11-yloxycarbonyloxymethyl]-phenoxy}-3,4,5-trihydroxy-tetrahydro-pyran-2-carboxylic acid allyl ester | 704885-04-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2S,3S,4S,5R,6S)-6-{4-[(1S,3S,7S,10R,11S,12S,16R)-10-allyl-7-hydroxy-8,8,12,16-tetramethyl-3-(2-methyl-benzothiazol-5-yl)-5,9-dioxo-4,17-dioxa-bicyclo[14.1.0]heptadec-11-yloxycarbonyloxymethyl]-phenoxy}-3,4,5-trihydroxy-tetrahydro-pyran-2-carboxylic acid allyl ester
• 英文别名: prop-2-enyl (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[[(1S,3S,7S,10R,11S,12S,16R)-7-hydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-5,9-dioxo-10-prop-2-enyl-4,17-dioxabicyclo[14.1.0]heptadecan-11-yl]oxycarbonyloxymethyl]phenoxy]oxane-2-carboxylate
• CAS: 704885-04-1
• 化学式: C₄₇H₅₉NO₁₅S
• 分子量: 910.049
• InChiKey: MUESXLZCLAVGQV-OTYRHXBRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  64
• 可旋转键数：
  14
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  258
• 氢给体数：
  4
• 氢受体数：
  17

文献信息

• Effector conjugates, methods for their preparation and their pharmaceutical use
  申请人：——

  公开号：US20040167083A1

  公开（公告）日：2004-08-26

  Conjugates of epothilones and epothilone derivatives (as effectors) with suitable saccharides or saccharide derivatives (as recognition units) are described. Their production is carried out by the recognition units being reacted with suitable linkers, and the compounds that are produced are conjugated to the effectors. The pharmaceutical use of the conjugates for treating proliferative or angiogenesis-associated processes is described.

  描述了具有适当的糖或糖衍生物（作为识别单元）的紫杉醇和紫杉醇衍生物（作为效应物）的共轭物。它们的制备是通过将识别单元与适当的连接剂反应，然后将产生的化合物与效应物共轭。描述了共轭物在治疗增殖或血管生成相关过程方面的药物应用。
• US7605136B2
  申请人：——

  公开号：US7605136B2

  公开（公告）日：2009-10-20