(1S,2S,3R,4S,5R,8R,9S,10R,13S)-4-acetoxy-2-benzoyloxy-5,20-epoxy-1,13-dihydroxy-9,10-[(1S)-2-propenylidenedioxy]tax-6,11-diene | 333754-37-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (1S,2S,3R,4S,5R,8R,9S,10R,13S)-4-acetoxy-2-benzoyloxy-5,20-epoxy-1,13-dihydroxy-9,10-[(1S)-2-propenylidenedioxy]tax-6,11-diene
• 英文别名: [(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-ethenyl-16,18-dihydroxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icosa-1(19),8-dien-15-yl] benzoate
• CAS: 333754-37-3
• 化学式: C₃₂H₃₈O₉
• 分子量: 566.648
• InChiKey: JLPXMWLKGOPKMT-CVFSRRBOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  41
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  121
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  S-(4-bromophenyl) (2R,3S)-3-[(tert-butoxycarbonyl)amino]-3-(3-fluoro-2-pyridinyl)-2-[(triisopropylsilyl)oxy]propanethioate 、 (1S,2S,3R,4S,5R,8R,9S,10R,13S)-4-acetoxy-2-benzoyloxy-5,20-epoxy-1,13-dihydroxy-9,10-[(1S)-2-propenylidenedioxy]tax-6,11-diene 在 sodium hydride 、 水 、 碳酸氢钠 作用下， 以 乙二醇二甲醚 、 乙酸乙酯 为溶剂， 反应 2.25h， 生成 (1S,2S,3R,4S,5R,8R,9S,10R,13S)-4-acetoxy-2-benzoyloxy-5,20-epoxy-1-hydroxy-9,10-[(1S)-2-propenylidenedioxy]tax-6,11-dien-13-yl (2R,3S)-3-(tert-butoxycarbonylamino)-3-(3-fluoro-2-pyridyl)-2-triisopropylsilyloxypropionate
  参考文献：
  名称：

  PROCESS FOR PRODUCING PENTACYCLIC TAXANE

  摘要：

  公开号：

  EP1741716B8

文献信息

• Taxane Compounds, Compositions And Methods
  申请人：Thottathil John K.

  公开号：US20120004429A1

  公开（公告）日：2012-01-05

  The present invention provides a method for the preparation of orally available pentacyclic taxane compounds, as well as intermediates useful in their preparation.

  本发明提供了一种制备口服五环紫杉烷类化合物的方法，以及在其制备中有用的中间体。
• Taxane Compounds, Compositions and Methods
  申请人：GFV, LLC

  公开号：US20150080578A1

  公开（公告）日：2015-03-19

  The present invention provides a method for the preparation of orally available pentacyclic taxane compounds, as well as intermediates useful in their preparation.

  本发明提供了一种制备口服五环紫杉烷化合物的方法，以及在其制备中有用的中间体。
• Method for producing pentacyclic taxans
  申请人：Imura Akihiro

  公开号：US20070167630A1

  公开（公告）日：2007-07-19

  Taxan derivatives are produced efficiently and inexpensively, which are useful as oral-administrable antitumor compounds. A compound of formula (1) (wherein R 1 is an alkyl group, an alkenyl group, an alkynyl group, a cycloalkyl group, an aryl group or a heterocyclic group; R 2 is a hydroxyl group optionally having a protective group) is processed with an alkali metal permanganate to produce a compound of formula (2), which may be a starting material for oral-administrable antitumor compounds.

  Taxan衍生物的生产是高效和廉价的，这些衍生物可作为口服抗肿瘤化合物。将式（1）的化合物（其中R1是烷基，烯基，炔基，环烷基，芳基或杂环基；R2是一个羟基，可选地具有保护基）与碱金属高锰酸盐处理，可产生式（2）的化合物，该化合物可作为口服抗肿瘤化合物的起始物质。
• METHOD FOR PRODUCING PENTACYCLIC TAXANS
  申请人：IMURA Akihiro

  公开号：US20090030209A1

  公开（公告）日：2009-01-29

  Taxan derivatives are produced efficiently and inexpensively, which are useful as oral-administrable antitumor compounds. A compound of formula (1) (wherein R 1 is an alkyl group, an alkenyl group, an alkynyl group, a cycloalkyl group, an aryl group or a heterocyclic group; R 2 is a hydroxyl group optionally having a protective group) is processed with an alkali metal permanganate to produce a compound of formula (2), which may be a starting material for oral-administrable antitumor compounds.

  Taxan衍生物可以高效且低成本地生产，这些衍生物可作为口服抗肿瘤化合物。公式（1）中的化合物（其中R1是烷基，烯基，炔基，环烷基，芳基或杂环基；R2是氢氧基，可选有保护基）与碱金属高锰酸盐反应，可产生公式（2）中的化合物，该化合物可作为口服抗肿瘤化合物的起始物质。
• TAXANE COMPOUNDS, COMPOSITIONS AND METHODS
  申请人：GFV, LLC

  公开号：US20140249186A1

  公开（公告）日：2014-09-04

  The present invention provides a method for the preparation of orally available pentacyclic taxane compounds, as well as intermediates useful in their preparation.

  本发明提供了一种制备口服五环紫杉烷化合物的方法，以及在其制备中有用的中间体。