1-甲基-1H-吡唑-4-甲酰肼 | 170020-91-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1-甲基-1H-吡唑-4-甲酰肼
• 中文别名: 1-甲基-1H-吡唑-4-卡巴肼；1-甲基-4-吡唑卡巴肼；1-甲基吡唑-4-卡巴肼
• 英文名称: 1-methyl-1H-pyrazole-4-carboxylic acid hydrazide
• 英文别名: 1-methyl-1H-pyrazole-4-carbohydrazide；1-methylpyrazole-4-carbohydrazide
• CAS: 170020-91-4
• 化学式: C₅H₈N₄O
• mdl: MFCD04969895
• 分子量: 140.145
• InChiKey: SQXMGIRXVMUSLR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  72.9
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-甲基-1H-吡唑-4-甲酰肼 在 potassium carbonate 、 caesium carbonate 作用下， 以 水 、 乙腈 为溶剂， 反应 32.25h， 生成
  参考文献：
  名称：

  Narrow SAR in odorant sensing Orco receptor agonists

  摘要：

  The systematic exploration of a series of triazole-based agonists of the cation channel insect odorant receptor is reported. The structure-activity relationships of independent sections of the molecules are examined. Very small changes to the compound structure were found to exert a large impact on compound activity. Optimal substitutions were combined using a 'mix-and-match' strategy to produce best-in-class compounds that are capable of potently agonizing odorant receptor activity and may form the basis for the identification of a new mode of insect behavior modification. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.04.081
• 作为产物：
  描述：

  1-甲基-1H -吡唑- 4 -羧酸甲酯 在 肼 作用下， 以 甲醇 为溶剂， 反应 24.0h， 生成 1-甲基-1H-吡唑-4-甲酰肼
  参考文献：
  名称：

  [EN] HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS
  [FR] TRIAZOLES SUBSTITUÉS PAR HÉTÉROARYLE UTILISÉS EN TANT QU'AGONISTES DU RÉCEPTEUR APJ

  摘要：

  化合物的化学式（I）和化学式（II），其药用可接受盐，上述任何的立体异构体，或它们的混合物是APJ受体的激动剂，可能用于治疗心血管和其他疾病。化学式I和化学式II的化合物具有以下结构：其中变量的定义在此提供。

  公开号：

  WO2018097945A1

文献信息

• [EN] [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES<br/>[FR] [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES
  申请人：BAYER AG

  公开号：WO2021028382A1

  公开（公告）日：2021-02-18

  The present invention covers [1,2,4]triazolo[1,5-c]quinazolin-5-amine compounds of general formula (I) in which R1, R2, R3, R4, R5, R6, R7 and R8 are as defined herein, methods of preparing said compounds, intermediate compounds useful for preparing said compounds, pharmaceutical compositions and combinations comprising said compounds and the use of said compounds for manufacturing pharmaceutical compositions for the treatment or prophylaxis of diseases, in particular of cancer or conditions with dysregulated immune responses or other disorders associated with aberrant AHR signaling, as a sole agent or in combination with other active ingredients.

  本发明涵盖了通式（I）中R1、R2、R3、R4、R5、R6、R7和R8如所定义的[1,2,4]三唑并[1,5-c]喹唑啉-5-胺化合物，以及制备所述化合物的方法，用于制备所述化合物的有用中间体化合物，包含所述化合物的药物组合物和组合物，以及利用所述化合物制造用于治疗或预防疾病的药物组合物，特别是癌症或与异常AHR信号传导相关的疾病，或与失调免疫反应或其他与异常AHR信号传导相关的疾病有关的情况，作为唯一药剂或与其他活性成分组合使用。
• [EN] HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS<br/>[FR] TRIAZOLES SUBSTITUÉS PAR HÉTÉROARYLE UTILISÉS EN TANT QU'AGONISTES DU RÉCEPTEUR APJ
  申请人：AMGEN INC

  公开号：WO2018097945A1

  公开（公告）日：2018-05-31

  Compounds of Formula (I) and Formula (II), pharmaceutically acceptable salt thereof, stereoisomers of any of the foregoing, or mixtures thereof are agonists of the APJ Receptor and may have use in treating cardiovascular and other conditions. Compounds of Formula I and Formula II have the following structures: where the definitions of the variables are provided herein.

  化合物的化学式（I）和化学式（II），其药用可接受盐，上述任何的立体异构体，或它们的混合物是APJ受体的激动剂，可能用于治疗心血管和其他疾病。化学式I和化学式II的化合物具有以下结构：其中变量的定义在此提供。
• Synthesis and Characterization of Novel Pyridine Associated 1,2,4-Triazolo-1,3,4-thiadiazines
  作者：Sudugu Ramakrishna Reddy、Ch. Venkata Ramana Reddy、B. Satyanarayana

  DOI：10.14233/ajchem.2016.19795

  日期：——

  A series of novel 3-(1-methyl-1H-pyrazol-4-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadaizine and its derivatives (8a-f) were synthesized by using 1-methyl-1H-pyrazole-4-carboxylic acid (3) as starting material and by involving 1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester (4), 1-methyl-1H-pyrazole-4-carboxylic acid hydrazide (5), 5-(1-methyl-1H-pyrazol-4-yl)-[1,3,4]oxadiazole-2-thiol (6) and 4-amino-5-(1-methyl-1H-pyrazol-4-yl)-4H-[1,2,4]triazole-3-thiol (7) as intermediate.

  一系列新型3-(1-甲基-1H-吡唑-4-基)-6-苯基-7H-[1,2,4]三唑并[3,4-b][1,3,4]噻二嗪及其衍生物（8a-f）通过使用1-甲基-1H-吡唑-4-羧酸（3）作为起始材料，并涉及1-甲基-1H-吡唑-4-羧酸乙酯（4）、1-甲基-1H-吡唑-4-羧酸酰肼（5）、5-(1-甲基-1H-吡唑-4-基)-[1,3,4]噁二唑-2-硫醇（6）以及4-氨基-5-(1-甲基-1H-吡唑-4-基)-4H-[1,2,4]三唑-3-硫醇（7）作为中间体制备而成。
• [EN] PYRIDO[1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-5-AMINES<br/>[FR] PYRIDO[1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-5-AMINES
  申请人：BAYER AG

  公开号：WO2022029063A1

  公开（公告）日：2022-02-10

  The present invention covers pyrido[1,2,4]triazolo[1,5-c]pyrimidin-5- amine compounds of general formula (I): in which R1, R2, R3, R4, A1, A2, A3 and A4 are as defined herein, methods of preparing said compounds, intermediate compounds useful for preparing said compounds, pharmaceutical compositions and combinations comprising said compounds and the use of said compounds for manufacturing pharmaceutical compositions for the treatment or prophylaxis of diseases, in particular of cancer or conditions with dysregulated immune responses or other disorders associated with aberrant aryl hydrocarbon receptor (AHR) signaling as a sole agent or in combination with other active ingredients.

  本发明涵盖了通式(I)的吡啶并[1,2,4]三唑并[1,5-c]嘧啶-5-胺化合物：其中R1、R2、R3、R4、A1、A2、A3和A4如本文所定义，制备所述化合物的方法，用于制备所述化合物的中间化合物，包含所述化合物的药物组合物和组合物，以及利用所述化合物制造用于治疗或预防疾病的药物组合物，特别是癌症或与异常芳香烃受体（AHR）信号传导相关的其他紊乱免疫反应或其他疾病的治疗。
• Narrow SAR in odorant sensing Orco receptor agonists
  作者：Ian M. Romaine、Robert W. Taylor、Samsudeen P. Saidu、Kwangho Kim、Gary A. Sulikowski、Laurence J. Zwiebel、Alex G. Waterson

  DOI：10.1016/j.bmcl.2014.04.081

  日期：2014.6

  The systematic exploration of a series of triazole-based agonists of the cation channel insect odorant receptor is reported. The structure-activity relationships of independent sections of the molecules are examined. Very small changes to the compound structure were found to exert a large impact on compound activity. Optimal substitutions were combined using a 'mix-and-match' strategy to produce best-in-class compounds that are capable of potently agonizing odorant receptor activity and may form the basis for the identification of a new mode of insect behavior modification. (C) 2014 Elsevier Ltd. All rights reserved.