N-(1-Methyl-1H-pyrazol-5-yl)carboxamide | 112028-98-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-(1-Methyl-1H-pyrazol-5-yl)carboxamide
• 英文别名: N-(1-methyl-1H-pyrazol-5-yl)formamide；5-formamido-1-methylpyrazole；N-(2-methylpyrazol-3-yl)formamide
• CAS: 112028-98-5
• 化学式: C₅H₇N₃O
• 分子量: 125.13
• InChiKey: CUHWSTDKNWOEFE-UHFFFAOYSA-N

物化性质

• 沸点：
  329.1±15.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  9
• 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：
  46.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(1-Methyl-1H-pyrazol-5-yl)carboxamide 在 sodium hydride 、 sodium iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 25.5h， 生成
  参考文献：
  名称：

  Studies on 3′-quaternary ammonium cephalosporins—III. Synthesis and antibacterial activity of 3′-(3-aminopyrazolium)cephalosporins

  摘要：

  The synthesis and in vitro antibacterial activity of 7 beta-[(Z)-2-(2-aminothiazol-4-yl)-2-methoxyiminoacetamido]cephalosporins bearing N-mono or dialkyl and carbamoyl aminopyrazolium, and five- or six-membered rings fused to the 3-aminopyrazolium methyl groups at the 3-position, are described. Aminopyrazolium methyl cephalosporins (23e, f, i), with fused saturated and unsaturated rings were especially effective against Staphylococcus strains compared to 3-amino-2-methylpyrazolium methyl cephalosporin (1). Among the cephalosporins prepared in this work, 7 beta-[(Z)-2-(2-aminothiazol-4-yl)-2-methoxyiminoacetamido]-3-(4,5,6,7-tetrahydro-1-pyrazolo[1,5-a]pyrimidino)methyl-3-cephem-4-carboxylate (23f) showed a good balance of antibacterial activity against both Gram-positive bacteria including Staphylococcus aureus and Gram-negative bacteria including P. aeruginosa. An imidazopyrazolium group at the 3-position in, for example, cephalosporin (23i) was particularly effective for improving antibacterial activity against MRSA. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0968-0896(96)00270-2
• 作为产物：
  描述：

  1-甲基-5-氨基吡唑 在 甲酸 、 乙酸酐 作用下， 以 水 、 乙酸乙酯 为溶剂， 生成 N-(1-Methyl-1H-pyrazol-5-yl)carboxamide
  参考文献：
  名称：

  Cephem compounds and processes for preparation thereof

  摘要：

  制备了7.β.-[2-5氨基-1，2，4-噻二唑-3-基)2(羧基较低烷氧基亚氨基)乙酰胺]-3-(3-氨基-2-烷基-1-吡唑啉)甲基3头孢烯4羧酸盐。它们是抗生素。

  公开号：

  US04927818A1

文献信息

• [EN] DIHYDROIMIDAZOPYRAZINONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER<br/>[FR] DÉRIVÉS DE DIHYDROIMIDAZOPYRAZINONE UTILES DANS LE TRAITEMENT DU CANCER
  申请人：ASTRAZENECA AB

  公开号：WO2017080979A1

  公开（公告）日：2017-05-18

  The present disclosure concerns compounds of Formula (I) or pharmaceutically-acceptable salts thereof, wherein R1, R2 and R3 have any of the meanings defined hereinbefore in the description; processes for their preparation, pharmaceutical compositions containing them and their use in the treatment of cancer.

  本公开涉及式（I）的化合物或其药用盐，其中R1、R2和R3具有在描述中之前定义的任何含义；它们的制备方法、含有它们的药物组合物以及它们在癌症治疗中的用途。
• Intermediates for cephem compounds
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US05162520A1

  公开（公告）日：1992-11-10

  The invention relates to intermediate compounds of the formula: ##STR1## wherein R.sup.3 is a lower alkyl, hydroxy(lower)alkyl or a protected hydroxy(lower)alkyl, R.sup.4 is amino or a protected amino group, and R.sup.5 is hydrogen or lower alkyl, or a salt thereof, useful in the preparation of compounds of antimicrobial activity.

  本发明涉及式为：##STR1##的中间化合物，其中R.sup.3是较低的烷基，羟基（较低）烷基或保护羟基（较低）烷基，R.sup.4是氨基或保护氨基团，R.sup.5是氢或较低的烷基，或其盐，在制备抗微生物活性化合物方面有用。
• Cephem compounds
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US05194432A1

  公开（公告）日：1993-03-16

  The invention relates to cephem compounds characterized by a substituted 2-pyrazolimethyl group and a 7-(aminothiazolyl) (hydroxyimino)-acetamido group and certain derivatives thereof, to pharmaceutical compositions comprising the same and to use for treatment of infectious diseases.

  本发明涉及一种具有取代的2-吡唑甲基基团和7-(氨基噻唑基)(羟肟基)-乙酰胺基团及其某些衍生物的头孢菌素化合物，以及包含其的制药组合物和用于治疗传染病的用途。
• SUBSTITUTED FUSED BICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN MEDICINES
  申请人：Jiangsu Hengrui Medicine Co., Ltd.

  公开号：EP3978498A1

  公开（公告）日：2022-04-06

  The present application relates to a substituted fused bicyclic derivative, a preparation method therefor, and an application thereof in medicines. Specifically, the present application relates to a novel substituted fused bicyclic derivative as represented by formula (I), a preparation method therefor, a pharmaceutical composition containing the derivative, an application thereof as a therapeutic agent, in particular, as an ERK inhibitor, and an application thereof in preparation of medicines for treatment and/or prevention of cancer, inflammation, or other proliferative diseases, wherein the definitions of the substituents in formula (I) are the same as those in the description.

  本申请涉及一种取代融合双环衍生物、其制备方法及在药物中的应用。具体而言，本申请涉及一种新型取代融合双环衍生物，其由公式（I）表示，其制备方法，含有该衍生物的药物组合物，其作为治疗剂的应用，特别是作为ERK抑制剂的应用，以及其在制备治疗和/或预防癌症、炎症或其他增生性疾病的药物中的应用，其中公式（I）中取代基的定义与说明中的相同。
• EP3950693
  申请人：——

  公开号：——

  公开（公告）日：——