4-(2,5-dioxo-2,5-dihydro-pyrrol-1-yl)-butanoic acid 4-(1R,3S,7S,10R,11S,12S,16S)-[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]-2-nitro-phenyl ester | 658054-54-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-(2,5-dioxo-2,5-dihydro-pyrrol-1-yl)-butanoic acid 4-(1R,3S,7S,10R,11S,12S,16S)-[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]-2-nitro-phenyl ester
• 英文别名: [4-[[(1R,3S,7S,10R,11S,12S,16S)-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]-2-nitrophenyl] 4-(2,5-dioxopyrrol-1-yl)butanoate
• CAS: 658054-54-7
• 化学式: C₄₆H₅₃N₃O₁₄S
• 分子量: 904.005
• InChiKey: JSMLNKBHXWPDII-PXIBQSJMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  64
• 可旋转键数：
  14
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  262
• 氢给体数：
  1
• 氢受体数：
  16

文献信息

• New effector conjugates, process for their production and their pharmaceutical use
  申请人：Berger Markus

  公开号：US20050026971A1

  公开（公告）日：2005-02-03

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

  本文介绍了依普托利酮及其衍生物（作为效应物）与适当的生物分子（作为识别单元）的共轭体。它们的制备是通过将效应物与适当的连接剂反应，然后将产生的化合物与识别单元结合而实现的。本文还介绍了这些共轭体在治疗增殖或血管生成相关过程中的药物应用。
• US7129254B2
  申请人：——

  公开号：US7129254B2

  公开（公告）日：2006-10-31