2'-(4-Cbz-aminobutyryl) paclitaxel | 138441-82-4

• 英文名称: 2'-(4-Cbz-aminobutyryl) paclitaxel
• 英文别名: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-3-phenyl-2-[4-(phenylmethoxycarbonylamino)butanoyloxy]propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
• CAS: 138441-82-4
• 化学式: C₅₉H₆₄N₂O₁₇
• 分子量: 1073.16
• InChiKey: STAARQZSWITHFQ-OBCGDTCXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  78
• 可旋转键数：
  23
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  266
• 氢给体数：
  4
• 氢受体数：
  17

反应信息

• 作为反应物：
  描述：

  2'-(4-Cbz-aminobutyryl) paclitaxel 在 palladium on activated charcoal 氢气 作用下， 以 苯 为溶剂， 生成
  参考文献：
  名称：

  Antitumor agents. 256. Conjugation of paclitaxel with other antitumor agents: Evaluation of novel conjugates as cytotoxic agents

  摘要：

  Sixteen different taxoid conjugates were prepared by linking various anticancer compounds, including camptothecin (CPT), epipodophyllotoxin (EP), colchicine (COL), and glycyrrhetinic acid (GA), at the 2'- or 7-position on paclitaxel (TXL, 1) through an ester, imine, amine, or amide bond. Newly synthesized conjugates were evaluated for cytotoxic activity against replication of several human tumor cell lines. Among them, TXL-CPT conjugates, 8-10, were more potent than TXL itself against the human prostate carcinoma cell line PC-3 (ED50 = 14.8, 3.1, 19.4 nM compared with 55.5 nM), and conjugate 10 was also 8-fold more active than TXL against the LN-CAP prostate cancer cell line. These compounds also possessed anti-angiogenesis ability as well as lower inhibitory effects against a normal cell line (MRC-5). Thus, conjugates 8-10 are possible antitumor drug candidates, particularly for prostate cancer. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.02.051
• 作为产物：
  描述：

  N-苄氧羰基-4-氨基丁酸 、 紫杉醇 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 生成 2'-(4-Cbz-aminobutyryl) paclitaxel
  参考文献：
  名称：

  WO2006/124737

  摘要：

  公开号：

文献信息

• Molecular constructs suitable for targeted conjugates
  申请人：Henri John T.

  公开号：US20090246211A1

  公开（公告）日：2009-10-01

  The present invention relates generally to effective drug-linker constructs suitable for conjugation with ligands. The present invention also discloses methods of conjugating these constructs with peptides to form the compound of formula I. These methods are readily extended to any hydroxyl, amine or sulfur bearing biologically active molecules. B—X—L 1 —(L 2 ) m —(L 3 ) n —Y—RL  I

  本发明涉及一般适用于与配体结合的有效药物-连接物构造。本发明还揭示了将这些构造物与肽共轭形成式I化合物的方法。这些方法可轻松扩展到任何具有羟基、胺基或硫基的生物活性分子。B-X-L1-(L2)m-(L3)n-Y-R L  I。