2-chloro-1-propyl-8-[1-(3-trifluoromethylbenzyl)-1H-pyrazol-4-yl]-1,7-dihydropurin-6-one | 1243706-25-3

• 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-chloro-1-propyl-8-[1-(3-trifluoromethylbenzyl)-1H-pyrazol-4-yl]-1,7-dihydropurin-6-one
• 英文别名: 2-Chloro-1-propyl-8-[1-(3-trifluoromethyl-benzyl)-1H-pyrazol-4-yl]-1,7-dihydro-purin-6-one；2-chloro-1-propyl-8-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-7H-purin-6-one
• CAS: 1243706-25-3
• 化学式: C₁₉H₁₆ClF₃N₆O
• 分子量: 436.824
• InChiKey: SGMAJPWOBOBJBW-UHFFFAOYSA-N

物化性质

• 沸点：
  638.8±65.0 °C(Predicted)
• 密度：
  1.53±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  79.2
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-chloro-1-propyl-8-[1-(3-trifluoromethylbenzyl)-1H-pyrazol-4-yl]-1,7-dihydropurin-6-one 在 氨 作用下， 反应 120.0h， 以41%的产率得到2-Amino-1-propyl-8-[1-(3-trifluoromethyl-benzyl)-1H-pyrazol-4-yl]-1,7-dihydro-purin-6-one
  参考文献：
  名称：

  Substituted Fused Pyrimidine Compounds

  摘要：

  本发明公开了式(I)的取代融合嘧啶化合物，它们的互变异构体、多晶形态、立体异构体、溶剂合物、药学上可接受的盐或含有它们的药物组合物，以及治疗由腺苷受体(AR)活性介导的疾病和病况的方法。本发明的化合物在治疗、预防或抑制可能通过腺苷受体拮抗而得到改善的疾病和疾病中具有用处，如哮喘、慢性阻塞性肺疾病、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、炎症性胃肠道疾病和/或自身免疫性疾病。

  公开号：

  US20120115864A1
• 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 、 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 78.5h， 生成 2-chloro-1-propyl-8-[1-(3-trifluoromethylbenzyl)-1H-pyrazol-4-yl]-1,7-dihydropurin-6-one
  参考文献：
  名称：

  PURINE COMPOUNDS AS PRODRUGS OF A2B ADENOSINE RECEPTOR ANTAGONISTS, THEIR PROCESS AND MEDICINAL APPLICATIONS

  摘要：

  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。

  公开号：

  US20130172249A1

文献信息

• [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。
• [EN] TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF<br/>[FR] COMPOSÉS TRICYCLIQUES, COMPOSITIONS ET LEURS APPLICATIONS MÉDICINALES
  申请人：IMPETIS BIOSCIENCES LTD

  公开号：WO2019135259A1

  公开（公告）日：2019-07-11

  The present disclosure relates to a series of tricyclic compounds, their tautomers, polymorphs, stereoisomers, prodrugs, solvates, pharmaceutically acceptable salts, pharmaceutical compositions containing them and methods of treating conditions and diseases that are mediated by adenosine receptor (AR) activity. The disclosure also relates to process of preparation of these tricyclic compounds of Formula I. These compounds are useful in the treatment, prevention or suppression of diseases and disorders that may be susceptible to improvement by antagonism of the adenosine receptor. The disclosure also relates to the process of preparation of the tricyclic compounds, and to pharmaceutical compositions containing them. Formula (I) wherein D represents a tricyclic ring system selected from: Formula (II) or Formula (III).

  本公开涉及一系列三环化合物，它们的互变异构体、多晶形式、立体异构体、前药、溶剂合物、药用可接受的盐、含有它们的药物组合物以及治疗由腺苷受体（AR）活性介导的疾病和疾病的方法。本公开还涉及制备这些Formula I三环化合物的方法。这些化合物在治疗、预防或抑制可能通过拮抗腺苷受体而能够改善的疾病和紊乱方面具有用途。本公开还涉及制备这些三环化合物的方法，以及含有它们的药物组合物。其中，Formula (I)中D代表从Formula (II)或Formula (III)中选择的三环环系统。
• Substituted fused pyrimidine compounds
  申请人：Palle Venkata

  公开号：US08859566B2

  公开（公告）日：2014-10-14

  The present invention discloses substituted fused pyrimidine compounds of formula (I), their tautomers, polymorphs, stereoisomers, solvates, pharmaceutically acceptable salts, or pharmaceutical compositions containing them and methods of treating conditions and diseases that are mediated by adenosine receptor (AR) activity. The compounds of the present invention are useful in the treatment, prevention or suppression of diseases and disorders that may be susceptible to improvement by antagonism of the adenosine receptor, such as 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, and/or autoimmune diseases.

  本发明公开了公式（I）的取代融合嘧啶化合物，它们的互变异构体、多晶形态、立体异构体、溶剂化物、药学上可接受的盐或包含它们的制药组合物以及治疗由腺苷受体（AR）活性介导的疾病和病症的方法。本发明的化合物在治疗、预防或抑制疾病和疾病方面是有用的，这些疾病和疾病可能易于通过腺苷受体拮抗作用而得到改善，如哮喘、慢性阻塞性肺疾病、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、肥胖症、炎症性胃肠道疾病和/或自身免疫性疾病。
• 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。
• [EN] SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS<br/>[FR] COMPOSÉS DE PYRIMIDINE FUSIONNÉE SUBSTITUÉE
  申请人：ADVINUS THERAPEUTICS PRIVATE LTD

  公开号：WO2010103547A3

  公开（公告）日：2010-12-02