乙基5-甲氧基-1H-吡唑-3-羧酸酯 | 180518-75-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 乙基5-甲氧基-1H-吡唑-3-羧酸酯
• 英文名称: 5-methoxy-1H-pyrazole-3-carboxylic acid ethyl ester
• 英文别名: ethyl 5-methoxy-1H-pyrazole-3-carboxylate；ethyl 3-methoxy-1H-pyrazole-5-carboxylate
• CAS: 180518-75-6
• 化学式: C₇H₁₀N₂O₃
• 分子量: 170.168
• InChiKey: LLRPCBOQOBERTJ-UHFFFAOYSA-N

物化性质

• 沸点：
  328.1±22.0 °C(Predicted)
• 密度：
  1.220±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  64.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  乙基5-甲氧基-1H-吡唑-3-羧酸酯 在 4-二甲氨基吡啶 、 N-碘代丁二酰亚胺 、 lithium chloro-isopropyl-magnesium chloride 、 水 、 乙酸酐 、 sodium hydride 、 lithium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 乙腈 为溶剂， 反应 42.5h， 生成
  参考文献：
  名称：

  WO2021009068A5

  摘要：

  公开号：

  WO2021009068A5
• 作为产物：
  描述：

  5-酮-4,5-二氢-1H-吡唑-3-羧酸乙酯 、 碘甲烷 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以38%的产率得到乙基5-甲氧基-1H-吡唑-3-羧酸酯
  参考文献：
  名称：

  Tricycles, their manufacture and use as pharmaceutical agents

  摘要：

  本发明涉及公式I化合物及其药用可接受的盐、对映体形式、非对映异构体和混合物，上述化合物的制备，含有它们的药物以及其制造，以及上述化合物在控制或预防癌症等疾病中的用途。

  公开号：

  US20060069145A1

文献信息

• [EN] HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS<br/>[FR] INHIBITEURS HÉTÉROCYCLIQUES DE WDR5 UTILISÉS EN TANT QUE COMPOSÉS ANTICANCÉREUX
  申请人：NOVARTIS AG

  公开号：WO2021028806A1

  公开（公告）日：2021-02-18

  The present invention provides compounds of Formula (I) or a pharmaceutically acceptable salt thereof; (I) which are inhibitors of WDR5. The present invention also provides pharmaceutical compositions comprising such compounds, compositions comprising such compounds with an additional therapeutic agent and the therapeutic uses of such compounds.

  本发明提供了式（I）的化合物或其药学上可接受的盐；（I）这些化合物是WDR5的抑制剂。本发明还提供了包含这些化合物的药物组合物，包含这些化合物与额外治疗剂的组合物以及这些化合物的治疗用途。
• HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS
  申请人：NOVARTIS AG

  公开号：US20220289732A1

  公开（公告）日：2022-09-15

  The present invention provides compounds of Formula (I) or a pharmaceutically acceptable salt thereof; (I) which are inhibitors of WDR5. The present invention also provides pharmaceutical compositions comprising such compounds, compositions comprising such compounds with an additional therapeutic agent and the therapeutic uses of such compounds.
• US7285569B2
  申请人：——

  公开号：US7285569B2

  公开（公告）日：2007-10-23
• [EN] N-SUBSTITUTED-3,4-(FUSED 5-RING)-5-PHENYL-PYRROLIDINE-2-ONE COMPOUNDS AS INHIBITORS OF ISOQC AND/OR QC ENZYME<br/>[FR] COMPOSÉS DE 5-PHÉNYL-PYRROLIDINE-2-ONE N-SUBSTITUÉS EN POSITIONS 3 ET 4 À CYCLE 5 CONDENSÉ UTILISÉS EN TANT QU'INHIBITEURS DE L'ENZYME ISOQC ET/OU QC
  申请人：SCENIC IMMUNOLOGY B V

  公开号：WO2021009068A1

  公开（公告）日：2021-01-21

  The present invention pertains generally to the field of therapeutic compounds. More specifically the present invention pertains to certain N-substituted-3,4-(fused 5-ring)-5-phenyl-pyrrolidin-2-one compounds (also referred to herein as "FRPPO compounds"), that, inter alia, inhibit glutaminyl-peptide cyclotransferase-like (isoQC) enzyme and/or glutaminyl-peptide cyclotransferase (QC) enzyme (e.g., inhibit or reduce or block the activity or function of isoQC and/or QC enzyme). The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit isoQC and/or QC enzyme; to treat disorders that are ameliorated by the inhibition of isoQC and/or QC enzyme; to treat cancer, atherosclerosis, fibrotic diseases, infectious diseases, Alzheimer's disease, etc.
• METHOD FOR CONTROLLING DIAMIDE RESISTANT PESTS AND COMPOUNDS THEREFOR
  申请人：[en]SYNGENTA CROP PROTECTION AG

  公开号：WO2024133426A1

  公开（公告）日：2024-06-27

  A method for combating and controlling diamide-resistant insects to (i) reduce damage on a plant, which comprises applying to the insect, to a locus of the insect, or to a plant susceptible to attack by the insect, an effective amount of a compound of formula (I); or (ii) protect plant propagation material, which comprises treating the propagation material or the site, where the propagation material is planted, with an effective amount of a compound of formula (I); wherein the compound of formula (I) is I wherein the substituents are as defined in claim 1, and the agrochemically acceptable salts, stereoisomers, enantiomers, tautomers and N-oxides of those compounds, can be used as insecticides.