[¹⁴C]-CNDR-29 | 1096706-61-4

• 英文名称: [¹⁴C]-CNDR-29
• 英文别名: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-12-(2-hydroxy(1,2-14C2)ethylcarbamoyloxy)-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
• CAS: 1096706-61-4
• 化学式: C₄₈H₅₄N₂O₁₅
• 分子量: 902.939
• InChiKey: GWRQAMFXUOCUCT-GWBWCQKNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  65
• 可旋转键数：
  16
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  254
• 氢给体数：
  6
• 氢受体数：
  15

反应信息

• 作为产物：
  描述：

  在 吡啶 、 氢氟酸 作用下， 反应 18.0h， 生成 [¹⁴C]-CNDR-29
  参考文献：
  名称：

  In situ blood–brain barrier permeability of a C-10 paclitaxel carbamate

  摘要：

  We report the synthesis and blood-brain barrier (BBB)-permeability of (14)C-CNDR-29, a paclitaxel C-10 carbamate derivative shown to be devoid of P-glycoprotein (Pgp)-interactions, in an in situ mouse brain perfusion model, in comparison with (14)C-paclitaxel. The results presented reveal a 3- to 4-fold higher BBB-permeability for the C-10 modified taxane compared to paclitaxel. These results support the notion that circumvention of Pgp-mediated efflux can lead to higher BBB-permeability. Further studies however are needed to evaluate the therapeutic potential of the C-10 carbamates paclitaxel derivatives for the treatment of CNS diseases. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.024