[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-ethoxycarbonyloxy-3-phenylpropanoyl]oxy-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-9-(phosphonooxymethoxy)-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

• 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
• 英文名称: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-ethoxycarbonyloxy-3-phenylpropanoyl]oxy-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-9-(phosphonooxymethoxy)-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
• 化学式: C₅₁H₅₈NO₂₀P
• 分子量: 1035.99
• InChiKey: WFHXDHJERMVSMD-CEPOORRRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  73
• 可旋转键数：
  22
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  292
• 氢给体数：
  4
• 氢受体数：
  20

反应信息

• 作为反应物：
  描述：

  [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-ethoxycarbonyloxy-3-phenylpropanoyl]oxy-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-9-(phosphonooxymethoxy)-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate 在 过氧化苯甲酰 作用下， 以 乙腈 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Synthesis and antitumor evaluation of paclitaxel phosphonooxymethyl ethers: a novel class of water soluble paclitaxel pro-drugs

  摘要：

  The synthesis, pharmacokinetic properties, and antitumor evaluation of novel paclitaxel phosphonooxymethyl ether derivatives 8-11 and salts thereof is described. These compounds exhibit improved water solubility as compared to paclitaxel (1) and upon incubation with plasma and alkaline phosphatase they readily release parent drug. The in vivo antitumor evaluation of compounds 8-11 established them as suitable pro-drugs of paclitaxel. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00321-6

文献信息

• POLYMORPHS OF N-MALONYL-BIS(N`-METHYL-N`-THIOBENZOYLHYDRAZIDE)
  申请人：SYNTA PHARMACEUTICALS CORP.

  公开号：US20140350115A1

  公开（公告）日：2014-11-27

  At least 70% by weight of Compound 1 is the single crystalline form, Form A, Form C, or Form D, of the compound. A pharmaceutical composition comprises a pharmaceutically acceptable carrier or diluent, and compound 1, wherein at least 70% by weight of the compound is the single crystalline form, Form A, Form C, or Form D, of the compound. A method of treating a subject with cancer comprises administering to the subject an effective amount of compound 1 or the pharmaceutical composition.

  化合物1的重量至少70％是化合物的单晶形式，即A型、C型或D型。一种药物组合物包括一种药学上可接受的载体或稀释剂，以及化合物1，其中至少70％的化合物是单晶形式，即A型、C型或D型。一种治疗癌症患者的方法包括向患者投予化合物1或药物组合物的有效量。
• Enhanced loading of intact, bacterially derived vesicles with small molecule compounds
  申请人：EnGeneIC Molecular Delivery Pty Ltd

  公开号：US11052157B2

  公开（公告）日：2021-07-06

  Enhanced loading of small molecule compounds into intact, bacterially derived vesicles provides operational and therapeutic advantages.

  将小分子化合物装载到完整的细菌衍生囊泡中，可增强操作和治疗优势。
• COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS
  申请人：Kowalczyk-Prezewloka Teresa

  公开号：US20110294814A1

  公开（公告）日：2011-12-01

  Disclosed are compounds of Formula (I) and methods of using compounds of the invention for treating a subject with a proliferative disorder, such as cancer, and methods for treating disorders responsive to Hsp70 induction and/or natural killer induction. Also, disclosed are pharmaceutical compositions comprising compounds of the invention and a pharmaceutically acceptable carrier.
• Compounds For The Treatment Of Proliferative Disorders
  申请人：Synta Pharmaceuticals Corp.

  公开号：US20150080386A1

  公开（公告）日：2015-03-19

  Disclosed are compounds and pharmaceutical compositions that are useful for treating a subject with a proliferative disorder, such as cancer. The disclosed compounds and pharmaceutical compositions are also useful for treating disorders responsive to Hsp70 induction and/or natural killer induction.
• ENHANCED LOADING OF INTACT, BACTERIALLY DERIVED VESICLES WITH SMALL MOLECULE COMPOUNDS
  申请人：EnGenelC Molecular Delivery Pty Ltd

  公开号：US20190216946A1

  公开（公告）日：2019-07-18

  Enhanced loading of small molecule compounds into intact, bacterially derived vesicles provides operational and therapeutic advantages.