3-甲基-1H-吡唑并[4,3-d]嘧啶 | 77816-07-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并嘧啶类
• 中文名称: 3-甲基-1H-吡唑并[4,3-d]嘧啶
• 英文名称: 3-methyl-1(2)H-pyrazolo[4,3-d]pyrimidine
• 英文别名: 3-Methyl-1(2)H-pyrazolo[4,3-d]pyrimidin；3-methyl-1H-pyrazolo[4,3-d]pyrimidine；3-methyl-2H-pyrazolo[4,3-d]pyrimidine
• CAS: 77816-07-0
• 化学式: C₆H₆N₄
• mdl: MFCD18809841
• 分子量: 134.14
• InChiKey: UTHPRTOMISEONZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  54.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-氨基-5-甲基-1H-吡唑-3-甲酰胺 在 ammonium hydroxide 、 palladium on activated charcoal 、 N,N-二甲基苯胺 、 三氯氧磷 作用下， 生成 3-甲基-1H-吡唑并[4,3-d]嘧啶
  参考文献：
  名称：

  Potential Purine Antagonists. V. Synthesis of Some 3-Methyl-5,7-substituted Pyrazolo[4,3-d]pyrimidines^1,2

  摘要：

  DOI：

  10.1021/jo01114a001

文献信息

• 5-Aryl-pyrazolo[4,3-d]pyrimidines, pyridines, and pyrazines and related compounds
  申请人：Hodgetts J. Kevin

  公开号：US20050070542A1

  公开（公告）日：2005-03-31

  5-aryl-Pyrazolo[4,3-d]pyrimidines, 6-aryl-Pyrazolo[3,4-d]pyrimidines and related compounds, as well as other chemically related compounds, that act as selective modulators of CRF 1 receptors are provided. These compounds are useful in the treatment of a number of CNS and periphereal disorders, particularly stress, anxiety, depression, cardiovascular disorders, and eating disorders. Methods of treatment of such disorders and well as packaged pharmaceutical compositions are also provided. Compounds of the invention are also useful as probes for the localization of CRF receptors and as standards in assays for CRF receptor binding. Methods of using the compounds in receptor localization studies are given.

  5-芳基吡唑并[4,3-d]嘧啶，6-芳基吡唑并[3,4-d]嘧啶及相关化合物，以及其他化学相关化合物，作为CRF 1受体的选择性调节剂。这些化合物在治疗多种中枢神经系统和外周障碍，特别是压力、焦虑、抑郁、心血管障碍和进食障碍方面具有用途。还提供了治疗这些障碍的方法以及包装的药物组合物。本发明的化合物还可用作CRF受体定位的探针和CRF受体结合测定中的标准。给出了在受体定位研究中使用这些化合物的方法。
• PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE
  申请人：Castanedo Georgette

  公开号：US20110207713A1

  公开（公告）日：2011-08-25

  Formula I compounds, including stereoisomers, geometric isomers, tautomers, metabolites and pharmaceutically acceptable salts thereof, are useful for inhibiting the delta isoform of PI3K, and for treating disorders mediated by lipid kinases such as inflammation, immunological disorders, and cancer. Methods of using compounds of Formula I for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

  Formula I 化合物，包括立体异构体、几何异构体、互变异构体、代谢物及其药学上可接受的盐，对抑制 PI3K 的δ异构体以及治疗由脂质激酶介导的疾病，如炎症、免疫性疾病和癌症，具有用途。公开了利用 Formula I 化合物在哺乳动物细胞中进行体外、体内和体内诊断、预防或治疗此类疾病，或相关病理条件的方法。
• METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND
  申请人：Miki Takashi

  公开号：US20120123122A1

  公开（公告）日：2012-05-17

  The present invention relates to a method for manufacturing a boronic acid ester compound, characterized by reacting an aryl halide compound and a diboron ester compound in the presence of a nitrogen-containing organic base, a nickel catalyst, a phosphine compound and a solvent. According to the manufacturing method of the present invention, even if a nickel catalyst is used as the catalyst, a desired boronic acid ester compound can be obtained in a sufficiently high yield. Furthermore, even if aryl chloride or aryl bromide having relatively low price and low reactivity, was used as the aryl halide compound, a desired boronic acid ester compound can be obtained in a sufficiently high yield.

  本发明涉及一种制备硼酸酯化合物的方法，其特征在于在氮含有机碱、镍催化剂、膦化合物和溶剂的存在下，将芳基卤化物化合物和二硼酯化合物反应。根据本发明的制造方法，即使使用镍催化剂作为催化剂，也可以获得所需的硼酸酯化合物，产率足够高。此外，即使使用价格较低且反应性较低的芳基氯化物或芳基溴化物作为芳基卤化物化合物，也可以获得所需的硼酸酯化合物，产率足够高。
• NEW BICYCLIC COMPOUNDS AS PI3-K AND MTOR INHIBITORS
  申请人：Pastor Fernández Joaquin

  公开号：US20130131057A1

  公开（公告）日：2013-05-23

  There is provided compounds of formula (I), wherein A 1 , A 4 , A 4a , A 5 , B 1 , B 1a , B 2 , B 2a , B 3 , B 3a , B 4 , B 4a and R 3 have meanings given in the description, and pharmaceutically-acceptable esters, amides, solvates or salts thereof, which compounds are useful in the treatment of diseases in which inhibition of a protein or lipid kinase (e.g. a PI3-K and/or mTOR) is desired and/or required, and particularly in the treatment of cancer or a proliferative disease.

  提供了式（I）的化合物，其中A1、A4、A4a、A5、B1、B1a、B2、B2a、B3、B3a、B4、B4a和R3在描述中给出了它们的含义，以及其药用可接受的酯、酰胺、溶剂合物或盐，这些化合物在治疗需要抑制蛋白质或脂质激酶（例如 PI3-K 和/或 mTOR）的疾病中是有用的，特别是在癌症或增殖性疾病的治疗中。
• [EN] CYCLIC COMPOUND HAVING ANTI-TUMOR ACTIVITY AND USE THEREOF<br/>[FR] COMPOSÉ CYCLIQUE AYANT UNE ACTIVITÉ ANTITUMORALE ET SON UTILISATION<br/>[ZH] 一种具有抗肿瘤活性的并环类化合物及其用途
  申请人：INNOVSTONE THERAPEUTICS LTD

  公开号：WO2021254493A1

  公开（公告）日：2021-12-23

  提供了一种作为PRMT5抑制剂的具有全新结构的化合物、其化合物的制备方法及其治疗由PRMT5抑制剂介导的疾病方面的用途。实验证实这些化合物对PRMT5酶都具有较强的抑制作用。还提供了化合物的合成方法，其工艺简单，操作便捷，利于规模化工业生产和应用。