| 1132753-51-5

• 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
• CAS: 1132753-51-5
• 化学式: C₅₁H₅₈N₂O₁₆
• 分子量: 955.025
• InChiKey: WHXHHHUWWJBNNM-ITHSPTIVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.64
• 重原子数：
  69.0
• 可旋转键数：
  13.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  262.61
• 氢给体数：
  4.0
• 氢受体数：
  17.0

反应信息

• 作为反应物：
  描述：

  、 Oregon Green 488 carboxylic acid succinimidyl ester 在 碳酸氢钠 、 sodium carbonate 作用下， 以 水 为溶剂， 以60%的产率得到5-[[(2S)-1-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1-hydroxy-2-(3-methoxybenzoyl)oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-9-yl]oxy]-1-oxopropan-2-yl]carbamoyl]-2-(2,7-difluoro-3-hydroxy-6-oxoxanthen-9-yl)benzoic acid
  参考文献：
  名称：

  Synthesis and biological activities of high affinity taxane-based fluorescent probes

  摘要：

  Three fluorescent probes 3a, 3b, and 4 have been synthesized through conjugation of fluorescein and difluorescein groups to the 7-OH of C-2 modified paclitaxel and cephalomannine derivatives with very high affinity to microtubules. All these probes exhibited potent tubulin assembly promotion and tumor cell killing activities, thus may be useful as tools for the determination of thermodynamic parameters and exploration of ligand-microtubule interactions. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.12.018
• 作为产物：
  描述：

  在 茴香硫醚 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以61%的产率得到
  参考文献：
  名称：

  Synthesis and biological activities of high affinity taxane-based fluorescent probes

  摘要：

  Three fluorescent probes 3a, 3b, and 4 have been synthesized through conjugation of fluorescein and difluorescein groups to the 7-OH of C-2 modified paclitaxel and cephalomannine derivatives with very high affinity to microtubules. All these probes exhibited potent tubulin assembly promotion and tumor cell killing activities, thus may be useful as tools for the determination of thermodynamic parameters and exploration of ligand-microtubule interactions. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.12.018