1-cyclopropyl-1H-imidazol-5-amine | 1314920-07-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-cyclopropyl-1H-imidazol-5-amine
• 英文别名: 3-cyclopropylimidazol-4-amine
• CAS: 1314920-07-4
• 化学式: C₆H₉N₃
• 分子量: 123.158
• InChiKey: KWVPAFMKEJWTCH-UHFFFAOYSA-N

物化性质

• 沸点：
  374.4±15.0 °C(Predicted)
• 密度：
  1.46±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  43.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-nitrochromone 、 1-cyclopropyl-1H-imidazol-5-amine 以 二氯甲烷 为溶剂， 生成 C₁₅H₁₂N₄O₃
  参考文献：
  名称：

  通过 1-取代的 1H-Imidazol-5-胺与 3-Nitro-4H-chromen-4-one 的环缩合反应有效合成 6-Nitro-和 6-Amino-3H-imidazo[4,5-b]pyridines

  摘要：

  3-nitro-4 H-chromen-4-one与原位反应生成1-取代的5-amino-1 H-imidazoles提供了一组1-取代的6-nitro-3 H-imidazo[4,5-B]代表潜在的腺苷脱氨酶 (ADA) 抑制剂的吡啶。硝基的还原导致相应的 6-amino-3 H-imidazo[4,5-B] 吡啶的形成。

  DOI：

  10.1055/s-0030-1258538
• 作为产物：
  描述：

  N'-(cyanomethyl)-N-cyclopropylmethanimidamide 以 二氯甲烷 为溶剂， 生成 1-cyclopropyl-1H-imidazol-5-amine
  参考文献：
  名称：

  通过 1-取代的 1H-Imidazol-5-胺与 3-Nitro-4H-chromen-4-one 的环缩合反应有效合成 6-Nitro-和 6-Amino-3H-imidazo[4,5-b]pyridines

  摘要：

  3-nitro-4 H-chromen-4-one与原位反应生成1-取代的5-amino-1 H-imidazoles提供了一组1-取代的6-nitro-3 H-imidazo[4,5-B]代表潜在的腺苷脱氨酶 (ADA) 抑制剂的吡啶。硝基的还原导致相应的 6-amino-3 H-imidazo[4,5-B] 吡啶的形成。

  DOI：

  10.1055/s-0030-1258538

文献信息

• [EN] COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE<br/>[FR] COMPOSÉS UTILES EN TANT QU'INHIBITEURS DE LA KINASE ATR
  申请人：VERTEX PHARMA

  公开号：WO2014143241A1

  公开（公告）日：2014-09-18

  The present invention relates to compounds useful as inhibitors of ATR protein kinase. The invention also relates to pharmaceutically acceptable compositions comprising the compounds of this invention; methods of treating of various diseases, disorders, and conditions using the compounds of this invention; processes for preparing the compounds of this invention; intermediates for the preparation of the compounds of this invention; and methods of using the compounds in in vitro applications, such as the study of kinases in biological and pathological phenomena; the study of intracellular signal transduction pathways mediated by such kinases; and the comparative evaluation of new kinase inhibitors. The compounds of this invention have formula (I) or a pharmaceutically acceptable salt, wherein the variables are as defined herein.

  本发明涉及作为ATR蛋白激酶抑制剂有用的化合物。该发明还涉及包括本发明化合物的药学上可接受的组合物；使用本发明化合物治疗各种疾病、疾病和症状的方法；制备本发明化合物的方法；制备本发明化合物的中间体；以及在体外应用中使用化合物的方法，例如在生物和病理现象中研究激酶、介导这些激酶的细胞内信号传导途径的研究，以及新激酶抑制剂的比较评估。本发明的化合物具有式（I）或药学上可接受的盐，其中变量如本文所定义。
• 3-Methoxalylchromone - A Versatile Reagent for the Regioselective Synthesis of 1-Desazapurine
  作者：Viktor Iaroshenko、Peter Langer、Dmytro Ostrovskyi、Iftikhar Ali、Satenik Mkrtchyan、Alexander Villinger、Andrei Tolmachev

  DOI：10.1055/s-0030-1258339

  日期：2011.1

  The reaction of 5-amino-1H-imidazoles with 3-methoxalylchromone provided a set of imidazo[4,5-b]pyridines (1-des­azapurines) bearing the CO2Me substituent at the α-position of the pyridine core. The corresponding acids were synthesized by subsequent hydrolysis of the ester function. Being typical purine isos­teres, 1-desazapurines are considered to be potent pharmacophores, and are widely used in drug design and medicinal chemistry.

  5-amino-1H-imidazoles 与 3-methoxalylchromone 的反应产生了一组咪唑并[4,5-b]吡啶（1-desazapurines），其吡啶核心的 δ 位带有 CO2Me 取代基。随后通过水解酯功能合成了相应的酸。作为典型的嘌呤异构体，1-desazapurines 被认为是强效药亲和剂，广泛应用于药物设计和药物化学。
• Nicotinamide derivative or salt thereof
  申请人：Fujiwara Hideyasu

  公开号：US08772320B2

  公开（公告）日：2014-07-08

  An object of the present invention is to provide to a compound and a pharmaceutical composition, which have excellent Syk-inhibitory activity. The present invention provides a nicotinamide derivative represented by the following formula (I) (wherein R1 represents a halogen atom; R2 represents a C1-12 alkyl group, a C2-12 alkenyl group, a C2-12 alkynyl group, a C3-8 cycloalkyl group, an aryl group, an ar-C1-6 alkyl group or a heterocyclic group, each optionally having at least one substituent; R3 represents an aryl group or a heterocyclic group each optionally having at least one substituent; and R4 and R5 each independently represent a hydrogen atom; and R2 and R4 may form a cyclic amino group optionally having at least one substituent together with the nitrogen atom to which they bind) or a salt thereof, and a pharmaceutical composition for use in the treatment of a Syk-related disease which comprises the nicotinamide derivative or a salt thereof.

  本发明的目的是提供一种具有优异Syk抑制活性的化合物和药物组合物。本发明提供了以下式子（I）所表示的烟酰胺衍生物（其中R1表示卤素原子；R2表示C1-12烷基、C2-12烯基、C2-12炔基、C3-8环烷基、芳基、芳基-C1-6烷基或杂环基，每个都可以选择性地具有至少一个取代基；R3表示芳基或杂环基，每个都可以选择性地具有至少一个取代基；R4和R5各自独立地表示氢原子；且R2和R4可以与它们结合的氮原子一起选择性地形成一个带有至少一个取代基的环状氨基团）或其盐，以及用于治疗Syk相关疾病的药物组合物，其包括该烟酰胺衍生物或其盐。
• NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF
  申请人：FUJIWARA Hideyasu

  公开号：US20130116430A1

  公开（公告）日：2013-05-09

  An object of the present invention is to provide to a compound and a pharmaceutical composition, which have excellent Syk-inhibitory activity. The present invention provides a nicotinamide derivative represented by the following formula (I) (wherein R 1 represents a halogen atom; R 2 represents a C 1-12 alkyl group, a C 2-12 alkenyl group, a C 2-12 alkynyl group, a C 3-8 cycloalkyl group, an aryl group, an ar-C 1-6 alkyl group or a heterocyclic group, each optionally having at least one substituent; R 3 represents an aryl group or a heterocyclic group each optionally having at least one substituent; and R 4 and R 5 each independently represent a hydrogen atom; and R 2 and R 4 may form a cyclic amino group optionally having at least one substituent together with the nitrogen atom to which they bind) or a salt thereof, and a pharmaceutical composition for use in the treatment of a Syk-related disease which comprises the nicotinamide derivative or a salt thereof.

  本发明的目的是提供一种具有优异的Syk抑制活性的化合物和制药组合物。本发明提供了一种由以下式(I)表示的烟酰胺衍生物（其中R1表示卤素原子；R2表示C1-12烷基、C2-12烯基、C2-12炔基、C3-8环烷基、芳基、芳基-C1-6烷基或杂环基，每种均可选地具有至少一个取代基；R3表示芳基或杂环基，每种均可选地具有至少一个取代基；R4和R5各自独立地表示氢原子；且R2和R4可以与它们结合的氮原子一起形成具有至少一个取代基的环状氨基团）或其盐，并且用于治疗Syk相关疾病的制药组合物包括该烟酰胺衍生物或其盐。
• COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20150291601A1

  公开（公告）日：2015-10-15

  The present invention relates to compounds useful as inhibitors of ATR protein kinase. The invention also relates to pharmaceutically acceptable compositions comprising the compounds of this invention; methods of treating of various diseases, disorders, and conditions using the compounds of this invention; processes for preparing the compounds of this invention; intermediates for the preparation of the compounds of this invention; and methods of using the compounds in in vitro applications, such as the study of kinases in biological and pathological phenomena; the study of intracellular signal transduction pathways mediated by such kinases; and the comparative evaluation of new kinase inhibitors. The compounds of this invention have formula I: or a pharmaceutically acceptable salt, wherein the variables are as defined herein.

  本发明涉及用作ATR蛋白激酶抑制剂的化合物。本发明还涉及包含本发明化合物的药学上可接受的组合物；使用本发明化合物治疗各种疾病、疾病和病情的方法；制备本发明化合物的过程；制备本发明化合物的中间体；以及在体外应用中使用化合物的方法，例如研究生物和病理现象中的激酶、介导这种激酶的细胞内信号转导途径的研究以及新激酶抑制剂的比较评估。本发明化合物具有公式I：或其药学上可接受的盐，其中变量如本文所定义。