2',4'-dihydroxy-2-methyl-trans-chalcone | 34000-34-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 2',4'-dihydroxy-2-methyl-trans-chalcone
• 英文别名: 2',4'-Dihydroxy-2-methyl-trans-chalkon；2',4'-Dihydroxy-2-methyl-chalcon；(E)-1-(2,4-dihydroxyphenyl)-3-(2-methylphenyl)prop-2-en-1-one
• CAS: 34000-34-5
• 化学式: C₁₆H₁₄O₃
• 分子量: 254.285
• InChiKey: MCOTUYJADAGCEY-RMKNXTFCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2',4'-dihydroxy-2-methyl-trans-chalcone 、 溶剂黄146 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 24.0h， 以67%的产率得到1-[3-(2,4-Dihydroxy-phenyl)-5-o-tolyl-4,5-dihydro-pyrazol-1-yl]-ethanone
  参考文献：
  名称：

  一些吡唑衍生物的合成及其与P-糖蛋白的亲和力结合的初步研究。

  摘要：

  合成了一系列取代的吡唑啉，并通过直接结合至包含ATP结合位点和调节剂相互作用区的纯化蛋白结构域，评估了它们的抗癌活性以及抑制P-糖蛋白介导的多药耐药性的能力。已经发现化合物2a和e以更大的亲和力与P-糖蛋白结合。

  DOI：

  10.1016/j.bmcl.2005.05.067
• 作为产物：
  描述：

  (E)-1-[2-Hydroxy-4-(tetrahydro-pyran-2-yloxy)-phenyl]-3-o-tolyl-propenone 在 盐酸 作用下， 以 乙醇 为溶剂， 生成 2',4'-dihydroxy-2-methyl-trans-chalcone
  参考文献：
  名称：

  一些吡唑衍生物的合成及其与P-糖蛋白的亲和力结合的初步研究。

  摘要：

  合成了一系列取代的吡唑啉，并通过直接结合至包含ATP结合位点和调节剂相互作用区的纯化蛋白结构域，评估了它们的抗癌活性以及抑制P-糖蛋白介导的多药耐药性的能力。已经发现化合物2a和e以更大的亲和力与P-糖蛋白结合。

  DOI：

  10.1016/j.bmcl.2005.05.067

文献信息

• Inhibition of amine oxidases activity by 1-acetyl-3,5-diphenyl-4,5-dihydro-(1H)-pyrazole derivatives
  作者：Fedele Manna、Franco Chimenti、Adriana Bolasco、Daniela Secci、Bruna Bizzarri、Olivia Befani、Paola Turini、Bruno Mondovı̀、Stefano Alcaro、Andrea Tafi

  DOI：10.1016/s0960-894x(02)00699-6

  日期：2002.12

  A novel series of 1-acetyl-3,5-diphenyl-4,5-dihydro-(1H)-pyrazole derivatives have been synthesised and investigated for the ability to inhibit selectively monoamine oxidases, swine kidney oxidase, and bovine serum amine oxidase. The newly synthesised compounds 1-6 proved to be reversible and non-competitive inhibitors of all types of the assayed amine oxidases. Compounds inhibit monoamine oxidases potently, displaying low 150 values of particular interest. In particular 1-acetyl-3-(2,4-dihydroxyphenyl)-5-(3-methylphenyl)-4,5-dihydro-(1H)-pyrazole 6 showed to be a potent monoamine oxidase inhibitor with a K-i of about 10(-8) M. Further insights in the theoretical evaluation of the possible interactions between the compounds and monoamine oxidase B have been developed through a computational approach. (C) 2002 Elsevier Science Ltd. All rights reserved.
• Chalcones. Condensation of Aromatic Aldehydes with Resacetophenone. II
  作者：DURGA NATH DHAR、JAGRAJ BEHARI LAL

  DOI：10.1021/jo01102a021

  日期：1958.8
• ANTIBIOTIC COMPOUNDS THAT INHIBIT BACTERIAL PROTEIN SYNTHESIS
  申请人：The Board of Regents of the University of Texas System

  公开号：US20160220510A1

  公开（公告）日：2016-08-04

  An aminoacylation/translation (AIT) system based on the protein synthesis system from the pathogen Pseudomonas aeruginosa , was used to screen chemical compounds for identifying inhibitors of protein synthesis. This system includes elongation factors: EF-Tu, EF-Ts and EF-G, aminoacyl tRNA synthetase (aaRS) specific for phenylalanine, PheRS, and ribosomes isolated from cultures of Pseudomonas aeruginosa . Compounds identified using this assay have been shown to contain broad spectrum activity against both Gram+ and Gram− pathogens. Methods of using the identified compounds, as well as derivatives and analogues of these compounds, as antimicrobial agents against bacterial infections are described.
• Synthesis of some pyrazole derivatives and preliminary investigation of their affinity binding to P-glycoprotein
  作者：Fedele Manna、Franco Chimenti、Rossella Fioravanti、Adriana Bolasco、Daniela Secci、Paola Chimenti、Cristiano Ferlini、Giovanni Scambia

  DOI：10.1016/j.bmcl.2005.05.067

  日期：2005.10

  A series of substituted pyrazolines were synthesized and evaluated for their anticancer activity and for their ability to inhibit P-glycoprotein-mediated multidrug resistance by direct binding to a purified protein domain containing an ATP-binding site and a modulator interacting region. Compounds 2a and e have been found to bind to P-glycoprotein with greater affinity.

  合成了一系列取代的吡唑啉，并通过直接结合至包含ATP结合位点和调节剂相互作用区的纯化蛋白结构域，评估了它们的抗癌活性以及抑制P-糖蛋白介导的多药耐药性的能力。已经发现化合物2a和e以更大的亲和力与P-糖蛋白结合。