4-(8-(piperazin-1-yl)-1,2,3,4-tetrahydro-[1,2,3]triazino[4′,5′:4,5]thieno[2,3-c]isoquinolin-5- yl)morpholine | 372495-52-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 4-(8-(piperazin-1-yl)-1,2,3,4-tetrahydro-[1,2,3]triazino[4′,5′:4,5]thieno[2,3-c]isoquinolin-5- yl)morpholine
• 英文别名: UNC10201652；5-(Morpholin-4-yl)-8-(piperazin-1-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinoline；4-(13-piperazin-1-yl-11-thia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-8-yl)morpholine
• CAS: 372495-52-8
• 化学式: C₂₀H₂₅N₇OS
• 分子量: 411.531
• InChiKey: ZPVQONCMKZBGTB-UHFFFAOYSA-N

物化性质

• 沸点：
  723.7±70.0 °C(Predicted)
• 密度：
  1.378±0.06 g/cm3(Predicted)
• 溶解度：
  DMSO: 2mg/mL, clear

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  1H-2-苯并硫代吡喃-4-甲腈,5,6,7,8-四氢-3-氨基-1-硫代- 在 盐酸 、 potassium carbonate 、 三氟乙酸 、 sodium nitrite 作用下， 以 乙醇 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 5.0h， 生成 4-(8-(piperazin-1-yl)-1,2,3,4-tetrahydro-[1,2,3]triazino[4′,5′:4,5]thieno[2,3-c]isoquinolin-5- yl)morpholine
  参考文献：
  名称：

  [EN] INHIBITORS OF MICROBIAL BETA-GLUCURONIDASE ENZYMES AND USES THEREOF
  [FR] INHIBITEURS DES ENZYMES BÊTA-GLUCURONIDASE MICROBIENNES ET LEURS UTILISATIONS

  摘要：

  提供了包含选择性β-葡萄糖苷酶抑制剂的化合物和组合物。这些化合物和组合物可以改善化疗药物的副作用，并提高这些药物的疗效，包括伊立替康和非甾体抗炎药。

  公开号：

  WO2018017874A1

文献信息

• [EN] INHIBITORS OF MICROBIAL BETA-GLUCURONIDASE ENZYMES AND USES THEREOF<br/>[FR] INHIBITEURS D'ENZYMES BÊTA-GLUCURONIDASE MICROBIENNES ET LEURS UTILISATIONS
  申请人：UNIV NORTH CAROLINA CHAPEL HILL

  公开号：WO2018142365A1

  公开（公告）日：2018-08-09

  Methods utilizing compounds and compositions are provided that comprise selective β-glucuronidase inhibitors. The methods can ameliorate the side effects of chemotherapeutic agents and can improve the efficacy of such agents, including irinotecan and non-steroidal anti-inflammatory drugs. The methods comprise administering the compounds in combination with agents or administering the compounds in a monotherapy for the treatment of cancer and gastrointestinal conditions.

  提供了利用化合物和组合物的方法，其中包括选择性β-葡萄糖醛酸酶抑制剂。这些方法可以改善化疗药物的副作用，并提高这些药物的疗效，包括伊立替康和非甾体抗炎药。这些方法包括将这些化合物与药物一起使用或将这些化合物单独用于治疗癌症和胃肠道疾病。
• Inhibitors of microbial beta-glucuronidase enzymes and uses thereof
  申请人：The University of North Carolina at Chapel Hill

  公开号：US11339178B2

  公开（公告）日：2022-05-24

  Compounds and compositions are provided that comprise selective b-glucuronidase inhibitors. The compounds and compositions can ameliorate the side effects of chemotherapeutic agents and can improve the efficacy of such agents, including irinotecan and non-steroidal anti-inflammatory drugs.

  本研究提供了包含选择性 b-葡萄糖醛酸酶抑制剂的化合物和组合物。这些化合物和组合物可以改善化疗药物的副作用，并提高此类药物（包括伊立替康和非甾体抗炎药物）的疗效。
• Methods of Treating Adverse Intestinal Effects of Non-Steroidal Anti-Inflammatory Drugs
  申请人：University of Connecticut

  公开号：US20150011542A1

  公开（公告）日：2015-01-08

  Methods of treating adverse intestinal effects of a non-steroidal anti-inflammatory drugs (NSAID) in a subject by administering to the subject a therapeutically effective amount of a selective bacterial beta-glucuronidase inhibitor. The adverse intestinal effects to be treated include the formation or growth of an intestinal ulcer, increased intestinal permeability, the loss of intestinal villi, bleeding of the intestinal mucosa, and an increased intestinal inflammatory response. The methods are useful for treating the adverse effects of any NSAID such as propionic acid derivatives, carboxylic acid derivatives, enolic acid derivatives, fenamic acid derivatives, sulphonanilidies, and selective COX-2 inhibitors. The bacterial beta-glucuronidase inhibitors are selective for the inhibition of bacterial beta-glucuronidase enzymes and do not inhibit mammalian beta-glucuronidase.
• SELECTIVE BETA-GLUCURONIDASE INHIBITORS AS A TREATMENT FOR SIDE EFFECTS OF CAMPTOTHECIN ANTINEOPLASTIC AGENTS
  申请人：The University of North Carolina at Chapel Hill

  公开号：US20150051205A1

  公开（公告）日：2015-02-19

  Compounds, compositions and methods are provided that comprise selective β-glucuronidase inhibitors for both aerobic and anaerobic bacteria, especially enteric bacteria normally associated with the gastrointestinal tract. The compounds, compositions and methods can be for inhibiting bacterial β-glucuronidase and for improving efficacy of camptothecin-derived antineoplastic agents or glucuronidase-substrate agents or compounds by attenuating the side effects caused by reactivation by bacterial β-glucuronidases of glucuronidated metabolites of camptothecin-derived antineoplasatic agents or glucuronidase-substrate agents or compounds.
• INHIBITORS OF MICROBIAL BETA-GLUCURONIDASE ENZYMES AND USES THEREOF
  申请人：The University of North Carolina at Chapel Hill

  公开号：US20190330237A1

  公开（公告）日：2019-10-31

  Compounds and compositions are provided that comprise selective b-glucuronidase inhibitors. The compounds and compositions can ameliorate the side effects of chemotherapeutic agents and can improve the efficacy of such agents, including irinotecan and non-steroidal anti-inflammatory drugs.