2'-[4-((1,3-bis((1,3-dihydroxypropan-2-yl)oxy)propan-2-yl)oxy)-4-oxobutanoyl]paclitaxel | 1395061-95-6

• 英文名称: 2'-[4-((1,3-bis((1,3-dihydroxypropan-2-yl)oxy)propan-2-yl)oxy)-4-oxobutanoyl]paclitaxel
• 英文别名: 4-O-[(1S,2R)-1-benzamido-3-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-oxo-1-phenylpropan-2-yl] 1-O-[1,3-bis(1,3-dihydroxypropan-2-yloxy)propan-2-yl] butanedioate
• CAS: 1395061-95-6
• 化学式: C₆₀H₇₃NO₂₃
• 分子量: 1176.23
• InChiKey: BMJYXYINSJLLQR-AMHRAEMUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  84
• 可旋转键数：
  31
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  353
• 氢给体数：
  7
• 氢受体数：
  23

反应信息

• 作为产物：
  描述：

  2'-[4-((1,3-bis((cis-2-phenyl-1,3-dioxan-5-yl)oxy)propan-2-yl)oxy)-4-oxobutanoyl]paclitaxel 在 氢气 、 palladium(II) hydroxide 作用下， 以 甲醇 为溶剂， 反应 15.0h， 以86%的产率得到2'-[4-((1,3-bis((1,3-dihydroxypropan-2-yl)oxy)propan-2-yl)oxy)-4-oxobutanoyl]paclitaxel
  参考文献：
  名称：

  Synthesis of Paclitaxel–BGL Conjugates

  摘要：

  Four kinds of symmetrically branched oligoglyceryl trimeric (BGL003)-paclitaxel conjugates and a corresponding heptameric (BGL007) conjugate were synthesized. Molecular weights of all the compounds were less than two times that of paclitaxel. The anti-tumor activity of the most water-soluble BGL003 conjugate was examined and found to be preserved in spite of the chemical modification that is displacement of the N3'-debenzoyl residue with the BGL003 succinyl residue. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2012.07.031