2,2-dimethylpropionic acid 6-oxo-1-propyl-8-[1-(3-trifluoromethylbenzyl)-1H-pyrazol-4-yl]-1,6-dihydropurin-7-ylmethyl ester | 1365172-90-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 2,2-dimethylpropionic acid 6-oxo-1-propyl-8-[1-(3-trifluoromethylbenzyl)-1H-pyrazol-4-yl]-1,6-dihydropurin-7-ylmethyl ester
• 英文别名: 2,2-Dimethyl-propionic acid 6-oxo-1-propyl-8-[1-(3-trifluoromethyl-benzyl)-1H-pyrazol-4-yl]-1,6-dihydro-purin-7-ylmethyl ester；[6-oxo-1-propyl-8-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]purin-7-yl]methyl 2,2-dimethylpropanoate
• CAS: 1365172-90-2
• 化学式: C₂₅H₂₇F₃N₆O₃
• 分子量: 516.523
• InChiKey: RPEURWPERSAHIO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  37
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  94.6
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  5,6-二氨基-3-丙基嘧啶-2,4(1h,3h)-二酮 在 四磷十氧化物 、 potassium carbonate 、 氯化铵 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三氯氧磷 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 102.5h， 生成 2,2-dimethylpropionic acid 6-oxo-1-propyl-8-[1-(3-trifluoromethylbenzyl)-1H-pyrazol-4-yl]-1,6-dihydropurin-9-ylmethyl ester 、 2,2-dimethylpropionic acid 6-oxo-1-propyl-8-[1-(3-trifluoromethylbenzyl)-1H-pyrazol-4-yl]-1,6-dihydropurin-7-ylmethyl ester
  参考文献：
  名称：

  [EN] PURINE COMPOUNDS AS PRODRUGS OF A2B ADENOSINE RECEPTOR ANTAGONISTS, THEIR PROCESS AND MEDICINAL APPLICATIONS
  [FR] COMPOSÉS PURINE UTILISÉS EN TANT QUE PROMÉDICAMENTS DES ANTAGONISTES DU RÉCEPTEUR A2B DE L'ADÉNOSINE, LEUR PROCÉDÉ DE PRÉPARATION ET LEURS APPLICATIONS MÉDICALES

  摘要：

  本公开涉及式(I)或式(II)的嘌呤化合物或其互变异构体、多晶型、立体异构体、溶剂合物或药学上可接受的盐，或含有它们的药物组合物以及治疗由A2B腺苷受体拮抗剂介导的疾病和病症的方法。{应在此处插入公式}本公开的化合物在治疗、预防或抑制可能通过腺苷A2B受体介导而有望改善的疾病和疾病中具有用途。这些疾病包括但不限于哮喘、慢性阻塞性肺病、血管生成、肺纤维化、肺气肿、过敏性疾病、炎症、再灌注损伤、心肌缺血、动脉粥样硬化、高血压、充血性心力衰竭、视网膜病变、糖尿病、肥胖、炎症性胃肠道疾病包括炎症性肠病、镰状细胞病和/或自身免疫疾病。以及它们在治疗哺乳动物各种疾病状态，如胃肠道疾病、免疫性疾病、过敏性疾病、神经系统疾病和心血管疾病中的使用，因细胞过度增殖和凋亡等。本公开还涉及制备此类化合物的方法以及含有它们的药物组合物。

  公开号：

  WO2012035548A1

文献信息

• PURINE COMPOUNDS AS PRODRUGS OF A2B ADENOSINE RECEPTOR ANTAGONISTS, THEIR PROCESS AND MEDICINAL APPLICATIONS
  申请人：Barawkar Dinesh

  公开号：US20130172249A1

  公开（公告）日：2013-07-04

  The present disclosure relates to purine compounds of formula (I) or formula (II) or its tautomers, polymorphs, stereoisomers, solvates or a pharmaceutically acceptable salts, or pharmaceutical compositions containing them and methods of treating conditions and diseases that are mediated by thereof as A2B adenosine receptor antagonists. The compounds of the present disclosure are useful in the treatment, prevention or suppression of diseases and disorders that may be susceptible to improvement by the mediation of adenosine A2B receptor. Such conditions include, but are not limited to, asthma, chronic obstructive pulmonary disorder, angiogenesis, pulmonary fibrosis, emphysema, allergic diseases, inflammation, reperfusion injury, myocardial ischemia, atherosclerosis, hypertension, congestive heart failure, retinopathy, diabetes mellitus, obesity, inflammatory gastrointestinal tract disorders including inflammatory bowel disease, sickle cell disease, and/or autoimmune diseases, and to their use in treating mammals for various disease states, such as gastrointestinal disorders, immunological disorders, hypersensitivity disorders, neurological disorders, and cardiovascular diseases due to both cellular hyperproliferation and apoptosis, and the like. The present disclosure also relates to methods for the preparation of such compounds, and to pharmaceutical compositions containing them.

  本公开涉及公式(I)或公式(II)的嘌呤化合物或其互变异构体、多晶型、对映异构体、溶剂化物或药用可接受盐，或包含它们的药物组合物，以及使用它们作为A2B腺苷受体拮抗剂治疗由其介导的条件和疾病的方法。本公开的化合物可用于治疗、预防或抑制可能通过腺苷A2B受体介导得到改善的疾病和失调。这样的状况包括但不限于：哮喘、慢性阻塞性肺病、血管生成、肺纤维化、肺气肿、过敏性疾患、炎症、再灌注损伤、心肌缺血、动脉粥样硬化、高血压、充血性心力衰竭、视网膜病变、糖尿病、肥胖、包括炎症性肠病的炎症性胃肠道失调、镰状细胞病和/或自身免疫性疾病，以及用于治疗哺乳动物的各种疾病状态，如胃肠道失调、免疫失调、超敏反应失调、神经失调和由于细胞过度增殖和凋亡引起的心血管疾病等。本公开还涉及制备此类化合物的方法，以及包含它们的药物组合物。
• Purine compounds as prodrugs of A2B adenosine receptor antagonists, their process and medicinal applications
  申请人：Barawkar Dinesh

  公开号：US08940751B2

  公开（公告）日：2015-01-27

  The present disclosure relates to purine compounds of formula (I) or formula (II) or its tautomers, polymorphs, stereoisomers, solvates or a pharmaceutically acceptable salts, or pharmaceutical compositions containing them and methods of treating conditions and diseases that are mediated by thereof as A2B adenosine receptor antagonists. The compounds of the present disclosure are useful in the treatment, prevention or suppression of diseases and disorders that may be susceptible to improvement by the mediation of adenosine A2B receptor. The present disclosure also relates to methods for the preparation of such compounds, and to pharmaceutical compositions containing them.

  本公开涉及式（I）或式（II）的嘌呤化合物或其互变异构体、多晶形、立体异构体、溶剂化物或药学上可接受的盐，或包含它们的制药组合物以及治疗由它们作为A2B腺苷受体拮抗剂介导的疾病和病症的方法。本公开的化合物对于治疗、预防或抑制可能通过腺苷A2B受体介导改善的疾病和病症是有用的。本公开还涉及制备这种化合物的方法以及包含它们的制药组合物。
• PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF CANCER
  申请人：Impetis Biosciences Ltd.

  公开号：EP3727391A1

  公开（公告）日：2020-10-28
• US8940751B2
  申请人：——

  公开号：US8940751B2

  公开（公告）日：2015-01-27
• [EN] PURINE COMPOUNDS AS PRODRUGS OF A2B ADENOSINE RECEPTOR ANTAGONISTS, THEIR PROCESS AND MEDICINAL APPLICATIONS<br/>[FR] COMPOSÉS PURINE UTILISÉS EN TANT QUE PROMÉDICAMENTS DES ANTAGONISTES DU RÉCEPTEUR A2B DE L'ADÉNOSINE, LEUR PROCÉDÉ DE PRÉPARATION ET LEURS APPLICATIONS MÉDICALES
  申请人：ADVINUS THERAPEUTICS PRIVATE LTD

  公开号：WO2012035548A1

  公开（公告）日：2012-03-22

  The present disclosure relates to purine compounds of formula (I) or formula (II) or its tautomers, polymorphs, stereoisomers, solvates or a pharmaceutically acceptable salts, or pharmaceutical compositions containing them and methods of treating conditions and diseases that are mediated by thereof as A2B adenosine receptor antagonists. Formulas should be inserted here} The compounds of the present disclosure are useful in the treatment, prevention or suppression of diseases and disorders that may be susceptible to improvement by the mediation of adenosine A2B receptor. Such conditions include, but are not limited to, asthma, chronic obstructive pulmonary disorder, angiogenesis, pulmonary fibrosis, emphysema, allergic diseases, inflammation, reperfusion injury, myocardial ischemia, atherosclerosis, hypertension, congestive heart failure, retinopathy, diabetes mellitus, obesity, inflammatory gastrointestinal tract disorders including inflammatory bowel disease, sickle cell disease, and/or autoimmune diseases. and to their use in treating mammals for various disease states, such as gastrointestinal disorders, immunological disorders, hypersensitivity disorders, neurological disorders, and cardiovascular diseases due to both cellular hyperproliferation and apoptosis, and the like. The present disclosure also relates to methods for the preparation of such compounds, and to pharmaceutical compositions containing them.

  本公开涉及式(I)或式(II)的嘌呤化合物或其互变异构体、多晶型、立体异构体、溶剂合物或药学上可接受的盐，或含有它们的药物组合物以及治疗由A2B腺苷受体拮抗剂介导的疾病和病症的方法。应在此处插入公式}本公开的化合物在治疗、预防或抑制可能通过腺苷A2B受体介导而有望改善的疾病和疾病中具有用途。这些疾病包括但不限于哮喘、慢性阻塞性肺病、血管生成、肺纤维化、肺气肿、过敏性疾病、炎症、再灌注损伤、心肌缺血、动脉粥样硬化、高血压、充血性心力衰竭、视网膜病变、糖尿病、肥胖、炎症性胃肠道疾病包括炎症性肠病、镰状细胞病和/或自身免疫疾病。以及它们在治疗哺乳动物各种疾病状态，如胃肠道疾病、免疫性疾病、过敏性疾病、神经系统疾病和心血管疾病中的使用，因细胞过度增殖和凋亡等。本公开还涉及制备此类化合物的方法以及含有它们的药物组合物。