4-Methoxymethyl-pyrazol | 37599-34-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-Methoxymethyl-pyrazol
• 英文别名: 4-(methoxymethyl)-1H-pyrazole
• CAS: 37599-34-1
• 化学式: C₅H₈N₂O
• 分子量: 112.131
• InChiKey: RICVUYMRSBUEKB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  37.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-Methoxymethyl-pyrazol 在 四丁基溴化铵 、 sodium carbonate 作用下， 以 氯仿 、 水 为溶剂， 反应 72.0h， 以16%的产率得到tris(4-methoxymethylpyrazolyl)methane
  参考文献：
  名称：

  Re(I) and 99mTc(I) tricarbonyl complexes with ether-containing pyrazolyl-based chelators: Chemistry, biodistribution and metabolism

  摘要：

  Tris(pyrazolyl) methane chelators, L1-L3, containing one or two ether groups at different positions of the azole rings, were synthesized and fully characterized. These chelators enabled the synthesis of fac[Tc-99m(CO)(3){HC[4-(ROCH2) pz](3)}] _ (R = Me (Tc1), Et (Tc2)) and fac-[Tc-99m(CO)(3){HC[3,5-(EtOCH2)(2)pz](3)}](+) (Tc3) which were identified by HPLC in comparison with the rhenium counterparts. The evaluation of Tc1 -Tc3 in CD-1 mice has shown that the number and/ or nature of the ether groups greatly influence the biodistribution profile, pharmacokinetics and metabolic stability of these complexes. Tc1 and Tc2, bearing a unique ether substituent at the 4-position of the pyrazolyl ring, undergo metabolic transformation in vivo while Tc3 is not metabolized. The metabolization of Tc1 and Tc2 enhanced their rate of excretion but, most probably, also justify their negligible heart uptake in contrast with the high heart uptake of congener non-metabolizable complexes (Tc-99m-DMEOP and Tc-99m-TMEOP), which have recently emerged as potential myocardial imaging agents. The attempts made to identify the metabolites of Tc1 and Tc2 have shown that the metabolization of these compounds must involve the ether functions with probable formation of carboxylic acid derivatives. A comparative study with the congener fac-[Tc-99m(CO)(3){[4-(MeOCH2)pz](CH2)(2)NH(CH2)(2)NH2}](+) (Tc6) led us to confirm the formation of such type of metabolites. In fact, Tc6 is also metabolized in mice with formation of fac-[Tc-99m(CO)(3){[4-(HOCH2)pz](CH2)(2)NH(CH2)(2)NH2}](+) (Tc7) and fac-[Tc-99m(CO)(3){[4-(HOOC) pz](CH2)(2)NH(CH2)(2)NH2}](+) (Tc8), which were chemically identified by HPLC in comparison with the Re congeners (Re7 and Re8). (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2013.11.013
• 作为产物：
  描述：

  trityl-4-methoxymethylpyrazole 在 三氟乙酸 、 碳酸氢钠 作用下， 以 甲醇 、 二氯甲烷 、 水 、 乙酸乙酯 为溶剂， 以38%的产率得到4-Methoxymethyl-pyrazol
  参考文献：
  名称：

  WO2008/61792

  摘要：

  公开号：

文献信息

• Chromane compounds
  申请人：CoMentis, Inc.

  公开号：US08975415B2

  公开（公告）日：2015-03-10

  The present invention provides a compound which is useful as an active ingredient of a pharmaceutical composition, in particular, a pharmaceutical composition for preventing or treating diseases or conditions associated with and/or mediated by β-secretase activity, hydrolysis of a β-secretase site of a β-amyloid precursor protein, and/or β-amyloid protein accumulation, including a pharmaceutical composition for preventing or treating diseases including, but not limited to, Glaucoma, MCI (Mild cognitive impairment) or Alzheimer's disease, especially, Alzheimer's disease.

  本发明提供了一种化合物，可用作药物组成物的活性成分，特别是用于预防或治疗与和/或介导β-分泌酶活性、β-淀粉样前体蛋白的β-分泌酶位点的水解以及/或β-淀粉样蛋白的积累相关的疾病或病症的药物组成物，包括预防或治疗疾病的药物组成物，包括但不限于青光眼、轻度认知障碍或阿尔茨海默病，特别是阿尔茨海默病。
• CHROMANE COMPOUNDS
  申请人：CoMentis, Inc.

  公开号：US20140179695A1

  公开（公告）日：2014-06-26

  The present invention provides a compound which is useful as an active ingredient of a pharmaceutical composition, in particular, a pharmaceutical composition for preventing or treating diseases or conditions associated with and/or mediated by β-secretase activity, hydrolysis of a β-secretase site of a β-amyloid precursor protein, and/or β-amyloid protein accumulation, including a pharmaceutical composition for preventing or treating diseases including, but not limited to, Glaucoma, MCI (Mild cognitive impairment) or Alzheimer's disease, especially, Alzheimer's disease.

  本发明提供了一种化合物，可用作药物组合物的活性成分，特别是用于预防或治疗与/或介导β-分泌酶活性、β-淀粉样前体蛋白的β-分泌酶位点水解和/或β-淀粉样蛋白积累有关的疾病或病情的药物组合物，包括预防或治疗疾病的药物组合物，包括但不限于青光眼、轻度认知障碍或阿尔茨海默病，特别是阿尔茨海默病。
• EGFR INHIBITOR, COMPOSITION AND PREPARATION METHOD THEREFOR
  申请人：BETTA PHARMACEUTICALS CO., LTD.

  公开号：US20220402948A1

  公开（公告）日：2022-12-22

  The present invention relates to the compounds of Formula I, methods of using these compounds as EGFR inhibitors, and pharmaceutical compositions comprising compounds thereof. The compounds are used for treating, preventing or ameliorating diseases or disorders such as cancer or infections.

  本发明涉及化合物I的配方、使用这些化合物作为EGFR抑制剂的方法，以及包含这些化合物的药物组合物。这些化合物可用于治疗、预防或改善诸如癌症或感染等疾病或障碍。
• WO2008/61792
  申请人：——

  公开号：——

  公开（公告）日：——
• [EN] CHROMANE COMPOUNDS<br/>[FR] COMPOSÉS DE CHROMANE
  申请人：ASTELLAS PHARMA INC

  公开号：WO2013181202A3

  公开（公告）日：2014-01-30