2'-(+/-)-2-bromohexadecanoyl paclitaxel | 201417-51-8

• 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: 2'-(+/-)-2-bromohexadecanoyl paclitaxel
• 英文别名: 2'-(2-Bromohexadecanoyl)paclitaxel, (2RS)-；[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-(2-bromohexadecanoyloxy)-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
• CAS: 201417-51-8
• 化学式: C₆₃H₈₀BrNO₁₅
• 分子量: 1171.23
• InChiKey: CHFZHQXKAHDGGH-QWVDZBJRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.1
• 重原子数：
  80
• 可旋转键数：
  30
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  227
• 氢给体数：
  3
• 氢受体数：
  15

反应信息

• 作为产物：
  描述：

  2-溴十六烷酸 、 紫杉醇 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 生成 2'-(+/-)-2-bromohexadecanoyl paclitaxel 、 N,N-二环己脲
  参考文献：
  名称：

  Hydrolysis-promoting taxane hydrophobic derivates

  摘要：

  公开号：

  EP1229030B1

文献信息

• Paclitaxel enhancer compounds
  申请人：Koya Keizo

  公开号：US20080214655A1

  公开（公告）日：2008-09-04

  Disclosed is a compound represented by the Structural Formula (I): Y is a covalent bond, a phenylene group or a substituted or unsubstituted straight chained hydrocarbyl group. In addition, Y, taken together with both >C=Z groups to which it is bonded, is a substituted or unsubstituted aromatic group. Preferably, Y is a covalent bond or —C(R 7 R 8 )—. R 1 and R 2 are independently an aryl group or a substituted aryl group, R 3 and R 4 are independently —H, an aliphatic group, a substituted aliphatic group, an aryl group or a substituted aryl group. R 5 -R 6 are independently —H, an aliphatic group, a substituted aliphatic group, an aryl group or a substituted aryl group. R 7 and R 8 are each independently —H, an aliphatic or substituted aliphatic group, or R 7 is —H and R 8 is a substituted or unsubstituted aryl group, or, R 7 and R 8 , taken together, are a C2-C6 substituted or unsubstituted alkylene group. Z is ═O or ═S. Also disclosed are pharmaceutical compositions comprising the compound of the present invention and a pharmaceutically acceptable carrier or diluent. Also disclosed is a method of treating a subject with cancer by administering to the subject a compound of Structural Formula (I) in combination with Paclitaxel or an analog of Paclitaxel.

  本发明揭示了一种由结构式（I）表示的化合物： 其中，Y是共价键，苯基或取代或未取代的直链烃基团。此外，Y与其连接的两个>C=Z基团一起，是取代或未取代的芳香族基团。优选地，Y是共价键或—C（R7R8）—。R1和R2分别是芳基基团或取代芳基基团，R3和R4分别是—H、脂肪基、取代脂肪基、芳基或取代芳基。R5-R6分别是—H、脂肪基、取代脂肪基、芳基或取代芳基。R7和R8各自独立地是—H、脂肪基或取代脂肪基，或者R7是—H，R8是取代或未取代的芳基基团，或者R7和R8一起是C2-C6取代或未取代的烷基基团。Z是═O或═S。本发明还揭示了包含本发明化合物和药学可接受的载体或稀释剂的制药组合物。本发明还揭示了一种通过将Paclitaxel或Paclitaxel类似物与结构式（I）的化合物联合给予受试者治疗癌症的方法。
• US7671092B2
  申请人：——

  公开号：US7671092B2

  公开（公告）日：2010-03-02
• Hydrolysis-promoting taxane hydrophobic derivates
  申请人：Zeneus Pharma Limited

  公开号：EP1229030B1

  公开（公告）日：2005-11-09