methyl digallate | 13456-57-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: methyl digallate
• 英文别名: digallic acid methyl ester；m-Digallussaeure-methylester；(2,3-dihydroxy-5-methoxycarbonylphenyl) 3,4,5-trihydroxybenzoate
• CAS: 13456-57-0
• 化学式: C₁₅H₁₂O₉
• 分子量: 336.255
• InChiKey: XMWQFDURKXLKMP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  154
• 氢给体数：
  5
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  methyl digallate 、 乙酸酐 在 吡啶 作用下， 生成 3,4-diacetoxy-5-(3,4,5-triacetoxy-benzoyloxy)-benzoic acid methyl ester
  参考文献：
  名称：

  Molecular Farming in Plants: A Current Perspective

  摘要：

  DOI：

  10.1007/bf03263099
• 作为产物：
  描述：

  3,4-diacetoxy-5-(3,4,5-triacetoxy-benzoyloxy)-benzoic acid methyl ester 在 氨 、 丙酮 作用下， 生成 methyl digallate
  参考文献：
  名称：

  Fischer,E.; Bergmann; Lipschitz, Chemische Berichte, 1918, vol. 51, p. 64

  摘要：

  DOI：

文献信息

• COMBINATION OF COMPOUNDS DERIVED FROM GALLIC ACID FOR THE TREATMENT OF CANCER
  申请人：FIORENTINO Susana

  公开号：US20150313925A1

  公开（公告）日：2015-11-05

  The invention relates to a combination of compounds derived from gallic acid, with an antitumoral and antimetastatic activity via a mechanism that involves the induction of apoptosis and the immunogenic death of the tumour cells and the subsequent activation of the specific immune response. The invention also relates to a composition containing a combination of derivatives of gallic acid and pharmaceutically acceptable excipients for the production of useful medicaments in the treatment of cancer. The invention further relates to the use of said composition in a coadjuvant in conventional chemotherapy, reducing the doses of chemptherapeutic agents used in the treatment of cancer.

  该发明涉及一种由没食子酸衍生的化合物组合，具有抗肿瘤和抗转移活性，通过诱导细胞凋亡和肿瘤细胞的免疫原性死亡以及后续激活特异性免疫应答的机制。该发明还涉及一种含有没食子酸衍生物组合和药用可接受的赋形剂的组合物，用于生产用于治疗癌症的有用药物。该发明进一步涉及在常规化疗中使用该组合物作为辅助剂，减少用于癌症治疗的化疗药物的剂量。
• Polytopic carriers for platinum ions: from digalloyl depside to tannic acid
  作者：Marco Fogagnolo、Paola Bergamini、Elena Marchesi、Lorenza Marvelli、Roberto Gambari、Ilaria Lampronti

  DOI：10.1039/d0nj01352h

  日期：——

  TA as a polytopic ligand with an increasing amount of [PtCO3(Me2SO-S)2]. The antiproliferative activity of complexes 8, A, B and C together with the corresponding ligands GG and TA was tested in vitro and compared with that of cisplatin on two human tumor cell lines, A2780 (ovarian cisplatin-sensitive) and A2780cis (ovarian cisplatin-resistant), and one non-tumoral cell line, HaCat. The experiments

  一种新型的双核铂（II）配合物，即[Pt 2 m -GG（Me 2 SO- S）4 ]（8，GG =去质子化的二没食子酸甲酯），可以通过研磨固体m / p在无溶剂条件下轻松合成。Pt前驱体[PtCO 3（Me 2 SO- S）2 ]形成的二没食子酰基深部。类似地，将铂核引入单宁酸（TA）的没食子酰基链中。特别是三个复合物A，B和C通过使TA作为多配体配体与增加量的[PtCO 3（Me 2 SO- S）2 ]反应制备。在体外测试了复合物8，A，B和C以及相应的配体GG和TA的抗增殖活性，并将其与顺铂对两种人肿瘤细胞系A2780（卵巢顺铂敏感）和A2780顺式的抗增殖活性进行了比较。（卵巢顺铂耐药）和一种非肿瘤细胞系HaCat。着重于其促凋亡活性的实验表明，活性最高的Pt（II）复合物的抗增殖活性与凋亡诱导有关。
• COMPOUNDS AND METHODS FOR THE DIAGNOSIS AND TREATMENT OF AMYLOID ASSOCIATED DISEASES
  申请人：Yang Jerry

  公开号：US20100260671A1

  公开（公告）日：2010-10-14

  The invention is in general directed to compounds, such as tannic acid, nicotine, nicotine derivatives and pyrrolid derivatives of nicotine, and methods for diagnosing, preventing or alleviating the symptoms of amyloid-associated diseases, for example, neuronal diseases, such as, for example, Alzheimer's disease, compounds and methods for inhibiting ion channel activity of beta amyloid, and methods of diagnostic imaging of A/3 fibrils.

  本发明通常涉及化合物，例如单宁酸、尼古丁、尼古丁衍生物和吡咯烷基衍生物，以及用于诊断、预防或缓解淀粉样相关疾病的症状的方法，例如神经元疾病，例如阿尔茨海默病，用于抑制β淀粉样物离子通道活性的化合物和方法，以及A/3纤维的诊断成像方法。
• Inhibitors of D-amino acid oxidase (DAAO) and uses thereof
  申请人：SyneuRx International (Taiwan) Corp.

  公开号：US10927138B2

  公开（公告）日：2021-02-23

  Provided herein are compounds of Formula (I) and uses thereof for inhibiting the activity of D-amino acid oxidase (DAAO) or treating diseases or disorders associated with DAAO, such as a central nervous system (CNS) disorder, obesity, diabetes, or hyperlipidemia. Also provided in the present disclosure are methods of synthesizing the Formula (I) compounds described herein.

  本文提供了式(I)化合物及其用途，用于抑制D-氨基酸氧化酶（DAAO）的活性或治疗与DAAO相关的疾病或紊乱，如中枢神经系统（CNS）紊乱、肥胖、糖尿病或高脂血症。本公开还提供了合成所述式（I）化合物的方法。
• Compounds and pharmaceutical uses thereof
  申请人：SyneuRx International (Taiwan) Corp.

  公开号：US11382924B2

  公开（公告）日：2022-07-12

  A method of treating coronavirus infection, comprising administering to a subject in need thereof an effective amount of a composition, wherein the composition comprises one or more compounds of Formula (I): or a pharmaceutically acceptable salt thereof.

  一种治疗冠状病毒感染的方法，包括向有需要的受试者施用有效量的组合物，其中组合物包含一种或多种式（I）化合物： 或其药学上可接受的盐。