5-环丙基-1-甲基-1H-吡唑-3-胺 | 1170238-67-1

• 物质功能分类: 医药中间体 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 亚胺内酰胺
• 中文名称: 5-环丙基-1-甲基-1H-吡唑-3-胺
• 英文名称: 5-cyclopropyl-1-methyl-1H-pyrazol-3-amine
• 英文别名: 5-cyclopropyl-1-methylpyrazol-3-amine
• CAS: 1170238-67-1
• 化学式: C₇H₁₁N₃
• mdl: MFCD09834272
• 分子量: 137.184
• InChiKey: FMIAELJMRNMQHT-UHFFFAOYSA-N

物化性质

• 沸点：
  299.2±28.0 °C(Predicted)
• 密度：
  1.37±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.571
• 拓扑面积：
  43.8
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933199090

反应信息

• 作为反应物：
  描述：

  5-环丙基-1-甲基-1H-吡唑-3-胺 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 sodium carbonate 作用下， 以 1,4-二氧六环 、 乙醇 、 水 为溶剂， 反应 15.0h， 生成 N-(tert-butyl)-5-(4-((5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)amino)-5-methylpyrimidin-2-yl)thiophene-2-sulfonamide
  参考文献：
  名称：

  Mtb PKNA/PKNB Dual Inhibition Provides Selectivity Advantages for Inhibitor Design To Minimize Host Kinase Interactions

  摘要：

  Drug resistant tuberculosis (TB) infections are on the rise and antibiotics that inhibit Mycobacterium tuberculosis through a novel mechanism could be an important component of evolving TB therapy. Protein kinase A (PknA) and protein kinase B (PknB) are both essential serine-threonine kinases in M. tuberculosis. Given the extensive knowledge base in kinase inhibition, these enzymes present an interesting opportunity for antimycobacterial drug discovery. This study focused on targeting both PknA and PknB while improving the selectivity window over related mammalian kinases. Compounds achieved potent inhibition (K-i approximate to 5 nM) of both PknA and PknB. A binding pocket unique to mycobacterial kinases was identified. Substitutions that filled this pocket resulted in a 100-fold differential against a broad selection of mammalian kinases. Reducing lipophilicity improved antimycobacterial activity with the most potent compounds achieving minimum inhibitory concentrations ranging from 3 to 5 mu M (1-2 mu g/mL) against the H37Ra isolate of M. tuberculosis.

  DOI：

  10.1021/acsmedchemlett.7b00239
• 作为产物：
  描述：

  3-环丙基-3-氧代丙腈 、 甲基肼 以 乙醇 为溶剂， 反应 12.0h， 以97%的产率得到5-环丙基-1-甲基-1H-吡唑-3-胺
  参考文献：
  名称：

  [EN] SUBSTITUTED HETEROCYCLYL DERIVATIVES AS CDK INHIBITORS
  [FR] DÉRIVÉS HÉTÉROCYCLYLE SUBSTITUÉS EN TANT QU'INHIBITEURS DE CDK

  摘要：

  本发明提供了公式（I）的取代杂环基衍生物，其在治疗上具有用途，特别是作为选择性转录CDK抑制剂，包括CDK7、CDK9、CDK12、CDK13和CDK18，更具体地是转录CDK7抑制剂。这些化合物在治疗和预防与哺乳动物中选择性转录CDK相关的疾病和/或疾病方面具有用途。本发明还提供了这些化合物的制备以及包含至少一种公式（I）的取代杂环基衍生物或其药学上可接受的盐或立体异构体的制药配方。

  公开号：

  WO2016193939A1

文献信息

• NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF
  申请人：WAKUNAGA PHARMACEUTICAL CO., LTD.

  公开号：US20200062752A1

  公开（公告）日：2020-02-27

  It is intended to provide a novel compound having high antitumor activity and low toxicity to normal cells. The present invention provides a pyridone carboxylic acid derivative represented by the following formula (1) or a salt thereof wherein R 1 represents a hydrogen atom, a halogen atom or the like; R 2 represents a hydrogen atom, a halogen atom or the like; R 3 to R 6 each represent a hydrogen atom or the like; R 7 represents a hydrogen atom or the like; R 8 represents a hydrogen atom, a halogen atom, the following formula (a) (wherein R a1 and R a2 each represent a hydrogen atom, a hydroxy group, an optionally substituted lower alkyl group or the like) or the like, or R 7 and R 8 together represent —N—OR 10 (wherein R 10 represents a hydrogen atom, an optionally substituted lower alkyl group, or an aralkyl group), or R 7 and R 8 form an optionally substituted 4- to 6-membered saturated hetero ring together with the adjacent carbon atom, or the like; R 9 represents a hydrogen atom or the like; X represents a nitrogen atom or the like; and Y represents a nitrogen atom or the like.

  本发明旨在提供一种具有高抗肿瘤活性和低毒性对正常细胞的新型化合物。本发明提供一种由以下式(1)表示的吡啶酮羧酸衍生物或其盐，其中R1代表氢原子、卤素原子或类似物；R2代表氢原子、卤素原子或类似物；R3至R6各自代表氢原子或类似物；R7代表氢原子或类似物；R8代表氢原子、卤素原子、以下式(a)（其中Ra1和Ra2各自代表氢原子、羟基、可选择取代的低烷基基团或类似物）或类似物，或者R7和R8一起代表—N—OR10（其中R10代表氢原子、可选择取代的低烷基基团或芳基烷基基团），或者R7和R8与相邻碳原子一起形成可选择取代的4-至6元饱和杂环，或类似物；R9代表氢原子或类似物；X代表氮原子或类似物；Y代表氮原子或类似物。
• [EN] SUBSTITUTED 5-CYCLOPROPYL-1H-PYRAZOL-3-YL-AMINE DERIVATIVES AS SELECTIVE CDK12/13 INHIBITORS<br/>[FR] DÉRIVÉS DE 5-CYCLOPROPYL-1H-PYRAZOL-3-YL-AMINE SUBSTITUÉS UTILISÉS EN TANT QU'INHIBITEURS SÉLECTIFS DE CDK12/13
  申请人：AURIGENE DISCOVERY TECH LTD

  公开号：WO2020202001A1

  公开（公告）日：2020-10-08

  The present invention provides 5-cyclopropyl-1H-pyrazol-3-yl-amine derivatives of formula (I), which are therapeutically useful as selective CDK12/13 inhibitors. These compounds are useful in the treatment and/or prevention of diseases and/or disorders associated with CDK12/13 in a mammal. The present invention also provides preparation of the compounds and pharmaceutical compositions comprising at least one of the 5-cyclopropyl-1H-pyrazol-3-yl-amine derivatives of formula (I) or a pharmaceutically acceptable salt, an N-oxide or a stereoisomer thereof.

  本发明提供了公式(I)的5-环丙基-1H-吡唑-3-基胺衍生物，这些衍生物在治疗上具有选择性CDK12/13抑制剂的作用。这些化合物在哺乳动物中用于治疗和/或预防与CDK12/13相关的疾病和/或疾病。本发明还提供了这些化合物的制备以及包含至少一种公式(I)的5-环丙基-1H-吡唑-3-基胺衍生物或其药学上可接受的盐、N-氧化物或立体异构体的药物组合物。
• HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES
  申请人：ARTMANN, III Gerald David

  公开号：US20120245187A1

  公开（公告）日：2012-09-27

  The invention relates to novel organic compounds of formula (I) and their use in the treatment of the animal or human body, to pharmaceutical compositions comprising a compound of formula I and to the use of a compound of formula I for the preparation of pharmaceutical compositions for use in the treatment of protein kinase dependent diseases, especially of proliferative diseases, such as in the treatment of tumour diseases and ocular neovascular diseases.

  本发明涉及一种新型有机化合物(I)及其在动物或人体治疗中的应用，包括含有化合物I的制药组合物以及利用化合物I制备用于治疗蛋白激酶依赖性疾病的制药组合物的应用，特别是在治疗增殖性疾病，如肿瘤疾病和眼部新生血管疾病方面的应用。
• Heterobicyclic Carboxamides as inhibitors for kinases
  申请人：Artmann, III Gerald David

  公开号：US20100168082A1

  公开（公告）日：2010-07-01

  The invention relates to novel organic compounds of formula (I) and their use in the treatment of the animal or human body, to pharmaceutical compositions comprising a compound of formula I and to the use of a compound of formula I for the preparation of pharmaceutical compositions for use in the treatment of protein kinase dependent diseases, especially of proliferative diseases, such as in the treatment of tumour diseases and ocular neovascular diseases.

  本发明涉及一种新型有机化合物(I)及其在动物或人体治疗中的应用，包括含有化合物I的药物组合物，以及利用化合物I制备用于治疗蛋白激酶依赖性疾病的药物组合物，特别是用于治疗增殖性疾病，如肿瘤疾病和眼部新生血管疾病的治疗。
• Substituted indol-5-ol derivatives and their therapeutical applications
  申请人：NantBioScience, Inc.

  公开号：US10160749B2

  公开（公告）日：2018-12-25

  The present invention relates generally to the use of compounds to treat a variety of disorders, diseases and pathologic conditions and more specifically to the use of substituted indol-5-ol derivatives to modulate protein kinases and for treating protein kinase-mediated diseases.

  本发明一般涉及使用化合物治疗各种失调、疾病和病理状况，更具体地说，涉及使用取代的吲哚-5-醇衍生物调节蛋白激酶和治疗蛋白激酶介导的疾病。