34-(p-toluenesulfonyl)-4,7,10,13,16,19,22,25,28,31,34-undecaoxatetracontanoic acid tert-butyl ester | 778596-20-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 34-(p-toluenesulfonyl)-4,7,10,13,16,19,22,25,28,31,34-undecaoxatetracontanoic acid tert-butyl ester
• 英文别名: Tos-PEG10-CH2CH2COOtBu；tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
• CAS: 778596-20-6
• 化学式: C₃₄H₆₀O₁₅S
• 分子量: 740.907
• InChiKey: FLQYXBIICKANBL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  50
• 可旋转键数：
  37
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  170
• 氢给体数：
  0
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  34-(p-toluenesulfonyl)-4,7,10,13,16,19,22,25,28,31,34-undecaoxatetracontanoic acid tert-butyl ester 在 hydroxylamine buffer 作用下， 以 乙醇 为溶剂， 反应 5.0h， 生成 33-巯基-4,7,10,13,16,19,22,25,28,31-十氧杂三十三烷酸叔丁酯
  参考文献：
  名称：

  Synthesis of Taxoids with Improved Cytotoxicity and Solubility for Use in Tumor-Specific Delivery

  摘要：

  To develop effective taxane-antibody immunoconjugates, we have prepared a series of modified taxanes that have both improved toxicity and solubility in aqueous systems as compared to paclitaxel (1a). These taxanes have been modified at either the C-10 or C-7 position and were found to be very cytotoxic against both normal and multi-drug-resistant (MDR) cells, as well as up to 30 times more soluble than paclitaxel in various buffer systems.

  DOI：

  10.1021/jm049705s
• 作为产物：
  描述：

  六甘醇 在 palladium on activated charcoal 吡啶 、 potassium tert-butylate 、 氢气 、 三乙胺 作用下， 以 甲醇 、 甲苯 、 乙腈 为溶剂， 20.0 ℃ 、193.05 kPa 条件下， 反应 49.0h， 生成 34-(p-toluenesulfonyl)-4,7,10,13,16,19,22,25,28,31,34-undecaoxatetracontanoic acid tert-butyl ester
  参考文献：
  名称：

  Synthesis of Taxoids with Improved Cytotoxicity and Solubility for Use in Tumor-Specific Delivery

  摘要：

  To develop effective taxane-antibody immunoconjugates, we have prepared a series of modified taxanes that have both improved toxicity and solubility in aqueous systems as compared to paclitaxel (1a). These taxanes have been modified at either the C-10 or C-7 position and were found to be very cytotoxic against both normal and multi-drug-resistant (MDR) cells, as well as up to 30 times more soluble than paclitaxel in various buffer systems.

  DOI：

  10.1021/jm049705s

文献信息

• [EN] PYRAZOLOAZEPINE IMMUNOCONJUGATES, AND USES THEREOF<br/>[FR] IMMUNOCONJUGUÉS DE PYRAZOLOAZÉPINE ET LEURS UTILISATIONS
  申请人：BOLT BIOTHERAPEUTICS INC

  公开号：WO2022036101A1

  公开（公告）日：2022-02-17

  The invention provides immunoconjugates of Formula I comprising an antibody linked by conjugation to one or more pyrazoloazepine derivatives. The invention also provides pyrazoloazepine derivative intermediate compositions comprising a reactive functional group. Such intermediate compositions are suitable substrates for formation of the immunoconjugates through a linker or linking moiety. The invention further provides methods of treating cancer with the immunoconjugates.

  本发明提供了公式I的免疫结合物，其包括通过共轭连接与一种或多种嘧唑并丙氨酸衍生物相连的抗体。本发明还提供了嘧唑并丙氨酸衍生物中间体组成，其中包括反应性官能团。这种中间体组成物是通过连接物或连接基物质的形成免疫结合物的合适底物。本发明还提供了使用免疫结合物治疗癌症的方法。