capecitabine

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 5'-脱氧核糖核苷
• 英文名称: capecitabine
• 英文别名: 1-(5-Deoxypentofuranosyl)-5-fluoro-4-{[(pentyloxy)carbonyl]amino}pyrimidin-2(1h)-one；pentyl N-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate
• 化学式: C₁₅H₂₂FN₃O₆
• 分子量: 359.355
• InChiKey: GAGWJHPBXLXJQN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  121
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  capecitabine 、 3-[([(tert-butoxy)carbonyl]amino([(tert-butoxy)carbonyl]imino)methyl)amino]propanoic acid 在 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 作用下， 以 二氯甲烷 为溶剂， 生成 (2R,3R,4R,5R)-4-({3-[({[(tert-butoxy)carbonyl]amino}({[(tert-butoxy)carbonyl]imino})methyl)amino]propanoyl}oxy)-5-(5-fluoro-2-oxo-4-{[(pentyloxy)carbonyl]amino}-1,2-dihydropyrimidin-1-yl)-2-methyloxolan-3-yl 3-[({[(tert-butoxy)carbonyl]amino}({[(tert-butoxy)carbonyl]imino})methyl)amino]propanoate
  参考文献：
  名称：

  [EN] INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF
  [FR] INHIBITEURS DE TRANSPORT DE LA CRÉATINE ET LEURS UTILISATIONS

  摘要：

  这项发明涉及抑制肌酸转运和/或肌酸激酶的化合物，包括这种化合物的药物组合物，以及利用这种化合物和组合物治疗癌症的方法。

  公开号：

  WO2015168465A1

文献信息

• Polysacchocride prodrug of 5-fluorouracil (5-FU) with enhanced target specificity for galectin-3 expressing cancers
  申请人：Tam C. Joemy

  公开号：US20080004237A1

  公开（公告）日：2008-01-03

  This application discloses embodiments of a novel prodrug and its method of synthesis. The prodrug comprises a galactose-containing polysaccharide covalently linked to 5-fluorouracil (5-FU). The galactose residues that are part of the backbone of the galactose-containing polysaccharide mediate the binding between the prodrug and the lectin galectin-3 which is expressed in various cancers. The galactose-containing polysaccharide is isolated from various plant material and covalently bonded to 5-FU. Various formulations (parenteral, or other local or systemic forms) can be used to administer this 5-FU-releasing prodrug to target galectin-3 expressing cancers.

  该应用程序披露了一种新型前药及其合成方法的实施方式。该前药包括一个含半乳糖的多糖，与5-氟尿嘧啶（5-FU）共价连接。作为半乳糖多糖骨架的一部分的半乳糖残基介导了前药与在各种癌症中表达的凝集素galectin-3之间的结合。这种含半乳糖的多糖是从各种植物材料中分离出来并与5-FU共价结合。可以使用各种配方（全身或局部形式）来向靶向表达galectin-3的癌症患者管理这种释放5-FU的前药。
• CONJUGATES COMPRISING HYDROXYALKYL STARCH AND A CYTOTOXIC AGENT AND PROCESS FOR THEIR PREPARATION
  申请人：Knoller Helmut

  公开号：US20130184455A1

  公开（公告）日：2013-07-18

  The present invention relates to a hydroxyalkyl starch conjugate and a method for preparing the same, said hydroxyalkyl starch conjugate comprising a hydroxyalkyl starch derivative and a cytotoxic agent, the cytotoxic agent comprising at least one secondary hydroxyl group, wherein the hydroxyalkyl starch is linked via said secondary hydroxyl group to the cytotoxic agent. The conjugate according to the present invention has a structure according to the following formula HAS′(-L-M) n wherein M is a residue of the cytotoxic agent, L is a linking moiety, HAS′ is the residue of the hydroxyalkyl starch derivative, and n is greater than or equal to 1, and wherein the hydroxyalkyl starch derivative has a mean molecular weight (MW) above the renal threshold.

  本发明涉及一种羟基烷基淀粉共轭物及其制备方法，所述羟基烷基淀粉共轭物包括一种羟基烷基淀粉衍生物和一种细胞毒性药物，所述细胞毒性药物包括至少一个次级羟基基团，其中所述羟基烷基淀粉通过所述次级羟基基团与所述细胞毒性药物连接。本发明的共轭物具有以下式子的结构：HAS'(-L-M)n，其中M是细胞毒性药物的残基，L是连接基团，HAS'是羟基烷基淀粉衍生物的残基，n大于或等于1，且所述羟基烷基淀粉衍生物的平均分子量（MW）高于肾小球阈值。
• Active agent loaded uniform, rigid, spherical, nanoporous calcium phosphate particles and methods of making and using the same
  申请人：Laboratory Skin Care, Inc.

  公开号：US10758478B2

  公开（公告）日：2020-09-01

  Uniform, rigid, spherical nanoporous calcium phosphate particles that define an internal space and an amount of active agent present in the internal space are provided. Also provided are topical delivery compositions that include the active agent loaded particles, as well as methods of making the particles and topical compositions. The particles and compositions thereof find use in a variety of different applications, including active agent delivery applications.

  本发明提供了均匀、坚硬、球形的纳米多孔磷酸钙颗粒，这些颗粒限定了内部空间和内部空间中的活性剂含量。此外，还提供了包括活性剂负载颗粒的局部给药组合物，以及制造颗粒和局部组合物的方法。这些颗粒及其组合物可用于各种不同的应用，包括活性剂递送应用。
• Modulators of DUX4 for regulation of muscle function
  申请人：GENEA BIOCELLS USA (HOLDINGS), INC.

  公开号：US10933068B2

  公开（公告）日：2021-03-02

  Disclosed herein are methods and compositions for the treatment of facioscapulohumeral muscular dystrophy and other muscle diseases or disorders. In some cases, the methods and compositions involve the use of methyltransferase inhibitors to inhibit or repress DUX4 expression in muscle cells. Further disclosed herein are methods and cell based assays for screening compounds for the treatment of facioscapulohumeral muscular dystrophy and other muscle diseases.

  本文公开了治疗面肱骨肌营养不良症和其他肌肉疾病或紊乱的方法和组合物。在某些情况下，这些方法和组合物涉及使用甲基转移酶抑制剂来抑制或抑制肌肉细胞中 DUX4 的表达。本文进一步公开了用于筛选治疗面阔肌营养不良症和其他肌肉疾病的化合物的方法和基于细胞的检测方法。
• Modified Release Compositions Comprising a Fluorocytidine Derivative for the Treatment of Cancer
  申请人：Liversidge Gary

  公开号：US20070122481A1

  公开（公告）日：2007-05-31

  The invention relates to a multiparticulate modified release composition comprising a fluorocytidine derivative, preferably capecitabine, and a modified release component comprising a modified release coating, a modified release matrix material, or both. Following oral delivery, the composition in operation delivers the fluorocytidine derivative in a pulsatile manner at about six to about twelve hours after administration.