(8S-cis)-10-((3-Amino-2,3,6-trideoxy-beta-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione | 57819-79-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 蒽环类药物
• 英文名称: (8S-cis)-10-((3-Amino-2,3,6-trideoxy-beta-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione
• 英文别名: (7S,9S)-7-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
• CAS: 57819-79-1
• 化学式: C₂₇H₂₉NO₁₁
• 分子量: 543.5
• InChiKey: AOJJSUZBOXZQNB-PSNOLWQVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  39
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  206
• 氢给体数：
  6
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  (8S-cis)-10-((3-Amino-2,3,6-trideoxy-beta-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione 生成 (7S,9S)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[(2S,4S,5S,6S)-5-hydroxy-6-methyl-4-morpholin-4-yloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
  参考文献：
  名称：

  ACTON, E. M.;MOSHER, C. W.

  摘要：

  DOI：

文献信息

• Legumain Activated Doxorubicin Derivative as well as Preparation Method and Application Thereof
  申请人：Yafei (Shanghai) Biopharmaceutical Co., Ltd.

  公开号：US20170106094A1

  公开（公告）日：2017-04-20

  The present invention discloses doxorubicin derivatives for targeted activation by Legumain, its preparation method and use. The doxorubicin derivatives are obtained by condensation between the amino group of compound A and the carboxyl group of compound B and have the following structure: compounds A and B have the following structures, respectively: wherein R 3 in compound B is Leu or absent; R 4 is any one amino acid selected from the group consisting of Ala and Thr; R 5 is any one amino acid selected from the group consisting of Ala, Thr and Asn; R 6 is wherein n=1-20; or wherein R 7 is substituted or unsubstituted, linear or branched, saturated or unsaturated C1-C20 fatty hydrocarbon, or substituted or unsubstituted C6-C20 aromatic hydrocarbon. The doxorubicin derivatives of the present invention are specifically tumor-targeted and have a long in vivo metabolic half-life, as compared with doxorubicin. They exhibit an efficient and safe anti-tumor effect and could be used to prepare an anti-tumor drug.

  本发明公开了靶向Legumain激活的阿霉素衍生物，其制备方法和用途。 阿霉素衍生物是通过化合物A的氨基与化合物B的羧基之间的缩合得到的，并具有以下结构：化合物A和B分别具有以下结构：其中，在化合物B中，R3为Leu或不存在；R4为从Ala和Thr组成的氨基酸中选择的任一种；R5为从Ala、Thr和Asn组成的氨基酸中选择的任一种；R6为其中n=1-20；或其中R7为取代或未取代的、直链或支链的、饱和或不饱和的C1-C20脂肪烃，或取代或未取代的C6-C20芳香烃。 本发明的阿霉素衍生物具有特异性肿瘤靶向性，并且与阿霉素相比，在体内代谢半衰期长。它们表现出高效且安全的抗肿瘤作用，并可用于制备抗肿瘤药物。
• COMPOSITIONS AND METHODS FOR TRANSPORT OF MOLECULES WITH ENHANCED RELEASE PROPERTIES ACROSS BIOLOGICAL BARRIERS
  申请人：Wender Paul A

  公开号：US20100255499A1

  公开（公告）日：2010-10-07

  Conjugates of a cargo molecule with a transporter molecule are disclosed, where the cargo molecule and the transporter molecule are linked covalently by a releasable linker. The cargo of the conjugate can be a biologically active agent or a reporter molecule. The transporter modulates the transport of the cargo across a biological barrier (e.g., a cell membrane) compared to the transport of the unconjugated cargo. Releasable linkers suitable for rapid and facile conjugation to various types of cargo and transporters are also disclosed, along with methods for using the linkers in the synthesis of conjugates.

  本发明公开了一种货物分子与运输蛋白分子的共轭体，其中货物分子和运输蛋白分子通过可释放的连接剂共价连接。共轭体的货物可以是生物活性剂或报告分子。与未共轭货物的运输相比，运输蛋白调节货物通过生物屏障（例如细胞膜）的运输。还公开了适用于快速和容易地与各种类型的货物和运输蛋白共轭的可释放连接剂，以及使用连接剂合成共轭体的方法。
• US8653238B2
  申请人：——

  公开号：US8653238B2

  公开（公告）日：2014-02-18
• US9982011B2
  申请人：——

  公开号：US9982011B2

  公开（公告）日：2018-05-29