| 741264-79-9

• CAS: 741264-79-9
• 化学式: C₅₄H₈₇NO₁₃Si₂
• 分子量: 1014.45
• InChiKey: FPTJBEWHPACPSN-ITYDFOCLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.56
• 重原子数：
  70.0
• 可旋转键数：
  20.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  196.21
• 氢给体数：
  2.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  在 4-二甲氨基吡啶 、 氟化氢吡啶 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 乙腈 为溶剂， 生成 [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[3-(methyldisulfanyl)propanoylamino]hexanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-12-propanoyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
  参考文献：
  名称：

  Synthesis of potent taxoids for tumor-specific delivery using monoclonal antibodies

  摘要：

  The targeted delivery of taxoids, in the form of taxane-antibody immunoconjugates, requires the preparation of taxoids containing moieties suitable for their conjugation to monoclonal antibodies. A series of taxoids incorporating a disulfide-containing linker at various positions of the taxoid framework have been prepared to investigate the most suitable position for conjugation. A second series of taxoids modified at the C-2 position aimed at increasing the potency of these taxanes has also been prepared. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.05.027
• 作为产物：
  描述：

  7-triethylsilyl-10-propanoyl-10-deacetylbaccatin III 在 palladium on activated charcoal 氢气 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， -40.0~20.0 ℃ 、101.33 kPa 条件下， 反应 0.5h， 生成
  参考文献：
  名称：

  Synthesis of potent taxoids for tumor-specific delivery using monoclonal antibodies

  摘要：

  The targeted delivery of taxoids, in the form of taxane-antibody immunoconjugates, requires the preparation of taxoids containing moieties suitable for their conjugation to monoclonal antibodies. A series of taxoids incorporating a disulfide-containing linker at various positions of the taxoid framework have been prepared to investigate the most suitable position for conjugation. A second series of taxoids modified at the C-2 position aimed at increasing the potency of these taxanes has also been prepared. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.05.027