4-methylbenzoic acid (2-hydroxybenzylidene)-hydrazide | 125741-53-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-methylbenzoic acid (2-hydroxybenzylidene)-hydrazide
• 英文别名: (E)-N'-(2-hydroxybenzylidene)-4-methylbenzohydrazide；4-methyl-benzoic acid salicylidenehydrazide；4-Methyl-benzoesaeure-salicylidenhydrazid；p-Toluylsaeure-(2-oxy-benzalhydrazid)；Salicylaldehyd-p-toluylhydrazon；N'-[(E)-(2-Hydroxyphenyl)methylidene]-4-methylbenzohydrazide；N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methylbenzamide
• CAS: 125741-53-9
• 化学式: C₁₅H₁₄N₂O₂
• 分子量: 254.288
• InChiKey: DPUVCYHYDOCXKP-MHWRWJLKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  61.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-methylbenzoic acid (2-hydroxybenzylidene)-hydrazide 在 polystyrene-supported iodobenzene diacetate 作用下， 以 二氯甲烷 为溶剂， 生成 2-(4-methylbenzoyl)-benzaldehyde
  参考文献：
  名称：

  聚苯乙烯负载的碘苯二乙酸酯 (PSIBD) – 从 2-羟基芳基醛/酮酰腙介导合成 1,2-二酰基苯

  摘要：

  摘要 通过使用聚苯乙烯负载的碘苯二乙酸酯 (PSIBD) 氧化 2-羟基芳醛/酮酰基腙，以良好的收率合成了一些新的 1,2-二酰基苯。

  DOI：

  10.1080/00397910802213752
• 作为产物：
  描述：

  对甲基苯甲酸甲酯 在 一水合肼 、 三氟乙酸 作用下， 以 甲醇 、 乙醇 为溶剂， 生成 4-methylbenzoic acid (2-hydroxybenzylidene)-hydrazide
  参考文献：
  名称：

  Modulation of estrogen-related receptors subtype selectivity: Conversion of an ERRβ/γ selective agonist to ERRα/β/γ pan agonists

  摘要：

  Estrogen Related Receptors (ERRs) are key regulators of energy homeostasis and play important role in the etiology of metabolic disorders, skeletal muscle related disorders, and neurodegenerative diseases. Among the three ERR isoforms, ERR alpha emerged as a potential drug target for metabolic and neurodegenerative diseases. Although ERR beta/gamma selective agonist chemical tools have been identified, there are no chemical tools that effectively target ERR alpha agonism. We successfully engineered high affinity ERR alpha agonism into a chemical scaffold that displays selective ERR beta/gamma agonist activity (GSK4716), providing novel ERR alpha/beta/gamma pan agonists that can be used as tools to probe the physiological roles of these nuclear receptors. We identified the structural requirements to enhance selectivity toward ERR alpha. Molecular modeling shows that our novel modulators have favorable binding modes in the LBP of ERR alpha and can induce conformational changes where Phe328 that originally occupies the pocket is dislocated to accommodate the ligands in a rather small cavity. The best agonists up-regulated the expression of target genes PGC-1 alpha and PGC-1 beta, which are necessary to achieve maximal mitochondrial biogenesis. Moreover, they increased the mRNA levels of PDK4, which play an important role in energy homeostasis.

  DOI：

  10.1016/j.bioorg.2020.104079

文献信息

• BATE-LACTAMASE INHIBITORS
  申请人：Dmitrienko Gary I.

  公开号：US20110046101A1

  公开（公告）日：2011-02-24

  The present invention relates to broad spectrum β-lactamase inhibitors. More particularly, the invention relates to inhibitors of Class B metallo (MBL) and Class D (OXA) β-lactamases. A method of treating a bacterial infection is provided, wherein the method comprises administering to a mammalian patient in need of such treatment a compound of formula (I) wherein R 1 is selected from R 2 is selected from with certain provisos as herein defined; in combination with a pharmaceutically acceptable β-lactam antibiotic in an amount which is effective for treating the bacterial infection.

  本发明涉及广谱β-内酰胺酶抑制剂。更具体地，本发明涉及类B金属酶(MBL)和类D（OXA）β-内酰胺酶的抑制剂。提供了一种治疗细菌感染的方法，其中该方法包括向需要此类治疗的哺乳动物患者施用具有以下结构的化合物（I）其中R1从中选择R2从中选择与此处定义的某些条件一起；与一种对治疗细菌感染有效的药用β-内酰胺抗生素结合在一起。
• SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER
  申请人：Young David H.

  公开号：US20120010075A1

  公开（公告）日：2012-01-12

  The present invention relates to the use of mixtures containing hydrazone compounds and copper for controlling the growth of fungi.

  本发明涉及使用含有肼化合物和铜的混合物来控制真菌生长。
• Stolle; Stevens, Journal fur praktische Chemie (Leipzig 1954), 1904, vol. <2> 69, p. 378
  作者：Stolle、Stevens

  DOI：——

  日期：——
• Synthesis of new acylhydrazones as iron-chelating compounds
  作者：John T. Edward、Mario Gauthier、Francis L. Chubb、Premysl Ponka

  DOI：10.1021/je00054a044

  日期：1988.10
• EDWARD, JOHN T.;GAUTHLER, MARIO;CHUBB, FRANCIS L.;PONKA, PREMYSL, J. CHEM. AND ENG. DATA, 33,(1988) N 4, C. 538-540
  作者：EDWARD, JOHN T.、GAUTHLER, MARIO、CHUBB, FRANCIS L.、PONKA, PREMYSL

  DOI：——

  日期：——