(1S,3S(Z),7S,10R,11S,12S,16S)-7,11-dihydroxy-3-(2-methyl-benzoxazol-5-yl)-10-(prop-2-en-1-yl)-8,8,12,16-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione | 658057-23-9

• 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: (1S,3S(Z),7S,10R,11S,12S,16S)-7,11-dihydroxy-3-(2-methyl-benzoxazol-5-yl)-10-(prop-2-en-1-yl)-8,8,12,16-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
• 英文别名: (1S,3S,7S,10R,11S,12S,16R)-7,11-Dihydroxy-10-allyl-8,8,12,16-tetramethyl-3-(2-methyl-benzoxazol-5-yl)-4,17-dioxa-bicyclo[14.1.0]heptadecane-5,9-dione；(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,12,16-tetramethyl-3-(2-methyl-1,3-benzoxazol-5-yl)-10-prop-2-enyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
• CAS: 658057-23-9
• 化学式: C₃₀H₄₁NO₇
• 分子量: 527.658
• InChiKey: RRFBKIZLKOFEMR-UVFDJNFUSA-N

物化性质

• 沸点：
  693.6±55.0 °C(Predicted)
• 密度：
  1.135±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  38
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  122
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• [DE] VERFAHREN FÜR DIE HERSTELLUNG VON C1-C15-FRAGMENTEN VON EPOTHILONEN UND DEREN DERIVATEN<br/>[EN] METHOD FOR PRODUCING C1-C15 FRAGMENTS OF EPOTHILONES AND THE DERIVATIVES THEREOF<br/>[FR] PROCEDE DE FABRICATION DE FRAGMENTS C1-C15 D'EPOTHILONES ET DE LEURS DERIVES
  申请人：SCHERING AG

  公开号：WO2005003071A1

  公开（公告）日：2005-01-13

  Die vorliegende Erfindung beschreibt ein Verfahren für die Herstellung von C1-C15-Fragmenten von Epothilonen und deren Derivaten, bei dem ein C1 - C6-Fragment mit einem C7 -C12-Fragment zu einem C1 - C12-Fragment verknüpft, und dieses dann mit einem C13 - C15-Fragment zu dem herzustellenden C1 - C15-Epothilon-Vorprodukt umgesetzt wird. Die so erhaltenen C1 - C15-Epothilon-Vorprodukte lassen sich nach bekannten Methoden zu den eigentlichen Wirkstoffen umsetzen. Die Erfindung betrifft außerdem die entsprechenden C1 - C12-Fragmente.

  本发明描述了一种制备Epothilone及其衍生物的C1-C15片段的方法，其中将一个C1-C6片段与一个C7-C12片段连接成一个C1-C12片段，然后将其与一个C13-C15片段反应以制备C1-C15 Epothilon前体。通过已知方法，可以将得到的C1-C15 Epothilon前体转化为实际的药物。该发明还涉及相应的C1-C12片段。
• Method for producing c1-c15 fragments of epothilones and the derivatives thereof
  申请人：Klar Ulrich

  公开号：US20070142675A1

  公开（公告）日：2007-06-21

  This invention describes a process for the production of C 1 -C 15 -fragments of epothilones and derivatives thereof, in which a C1-C6-fragment is linked with a C7-C12-fragment to a C1-C12-fragment, and the latter then is reacted with a C13-15-fragment to form the C1-C15 initial epothilone product that is to be produced. The thus obtained C1-C15 initial epothilone products can be reacted according to known methods to form the actual active ingredients. In addition, the invention relates to the corresponding C1-C12-fragments.

  该发明描述了一种生产依托利酮及其衍生物的C1-C15片段的过程，其中将一个C1-C6片段与一个C7-C12片段连接成一个C1-C12片段，然后将后者与一个C13-15片段反应以形成要生产的C1-C15初始依托利酮产物。所得的C1-C15初始依托利酮产物可以按照已知方法反应以形成实际的活性成分。此外，该发明还涉及相应的C1-C12片段。
• New effector conjugates, process for their production and their pharmaceutical use
  申请人：Klar Ulrich

  公开号：US20050234247A1

  公开（公告）日：2005-10-20

  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 conjugates for treating proliferative or angiogenesis-associated processes is described.

  描述了与适当的生物分子（作为识别单元）的环丙沙星和环丙沙星衍生物（作为效应物）的共轭体。它们的生产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。描述了共轭体在治疗增殖或血管生成相关过程的药物用途。
• METHODS, KITS, AND COMPOUNDS FOR DETERMINING RESPONSIVENESS TO TREATMENT OF A PATHOLOGICAL DISORDER BY EPOTHILONES
  申请人：Hoffmann Jens

  公开号：US20090076098A1

  公开（公告）日：2009-03-19

  The invention provides methods, kits and compounds for determining the potential responsiveness of a subject suffering from a pathological disorder, including non-small cell lung cancer (NSCLC), to treatment with an epothilone by analyzing the gene expression profile and/or certain molecular markers in a sample obtained from said subject. The invention further relates to methods, compounds and uses of said compounds for treating subjects suffering from said pathologic disorder, optionally in combination with other therapeutic agents. Also provided are genes and/or proteins encoded by them whose expression level have been determined to differ between epothilone responders and epothilone non-responders.

  该发明提供了用于确定患有病理性疾病（包括非小细胞肺癌（NSCLC））的受试者对依托泊苷治疗的潜在反应性的方法、试剂盒和化合物，包括通过分析从该受试者获得的样本中的基因表达谱和/或某些分子标记来进行。该发明还涉及用于治疗患有该病理性疾病的受试者的方法、化合物和使用该化合物，可选择与其他治疗剂联合使用。还提供了由它们编码的基因和/或蛋白质，其表达水平已确定在依托泊苷反应者和依托泊苷非反应者之间存在差异。
• 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。