(E)-1-(2′-hydroxy-4′,6′-dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one | 121245-87-2

• 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: (E)-1-(2′-hydroxy-4′,6′-dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one
• 英文别名: (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one；2',3-dihydroxy-4,4',6'-trimethoxychalcone；3,2'-dihydroxy-4,4',6'-trimethoxy-trans-chalcone；3,2'-Dihydroxy-4,4',6'-trimethoxy-trans-chalkon
• CAS: 121245-87-2
• 化学式: C₁₈H₁₈O₆
• 分子量: 330.337
• InChiKey: WMOWJHFPSNZXSK-GQCTYLIASA-N

物化性质

• 碰撞截面：
  177.1 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  85.2
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  间苯三酚 在 三氟化硼乙醚 、 potassium carbonate 、 sodium hydroxide 作用下， 以 甲醇 、 丙酮 为溶剂， 反应 1.5h， 生成 (E)-1-(2′-hydroxy-4′,6′-dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one
  参考文献：
  名称：

  新型的一氧化氮（NO）产生抑制剂的开发对慢性炎症具有潜在的治疗作用

  摘要：

  炎症是对刺激的复杂生物学反应。活化的巨噬细胞诱导过度释放促炎性细胞因子，而内源性自由基一氧化氮（NO）等介体在多种炎性疾病的进展中起重要作用。天然和合成查耳酮都具有广泛的生物活性。在这项工作中，基于生物活性卡瓦尔查耳酮，设计，合成了39个查耳酮和3种相关化合物，包括几种新化合物，并评估了它们对RAW 264.7细胞中NO产生的抑制作用。新型化合物（E）-1-（2'-羟基-4'，6'-二甲氧基苯基）-3-（3-甲氧基-4-（3-吗啉代丙氧基）苯基）丙-2-烯-1-酮（53）对10μM（IC的NO产生）表现出更好的抑制活性（84.0％）50  = 6.4μM）的细胞毒性（IC 50  > 80μM）在测试化合物中最低。此外，蛋白质印迹分析表明化合物53是诱导型一氧化氮合酶（iNOS）蛋白的有效下调剂。对接研究表明，化合物53也可以对接iNOS的活性位点。此外，在剂量为10 mg / kg /

  DOI：

  10.1016/j.ejmech.2020.112216

文献信息

• Narasimhachari; Seshadri, Proceedings - Indian Academy of Sciences, Section A, 1950, # 32, p. 17,21, 22
  作者：Narasimhachari、Seshadri

  DOI：——

  日期：——
• COMPOSITIONS CONTAINING CHALCONES AND USE THEREOF
  申请人：Johnson and Johnson Consumer Companies, Inc.

  公开号：EP2054046B1

  公开（公告）日：2012-09-26
• Compounds exhibiting efflux inhibitor activity and composition and uses thereof
  申请人：Wempe Fitzpatrick Michael

  公开号：US20070254859A1

  公开（公告）日：2007-11-01

  At least one compound chosen from compounds of Formula I: a pharmaceutically acceptable salt or ester thereof, a solvate thereof, a chelate thereof, a non-covalent complex thereof, a prodrug thereof, and mixtures of any of the foregoing, wherein: n is a number from 1 to 900, wherein the individual units may be the same or different; W is chosen from alkyl, substituted alkyl, cycloalkyl, substituted cycloalkyl, aryl, substituted aryl, aralkyl and substituted aralkyl; each of R 2 , R 3 , R 4 and R 5 is independently chosen from —H, alkyl, substituted alkyl, cycloalkyl, substituted cycloalkyl, aryl, substituted aryl, aralkyl and substituted aralkyl; Z′ is chosen from —O—, —N—, —NO—, —NR 4 —, —S—, —SO— and —SO 2 —, wherein R 4 is defined as above; each of X, X′, Y and Z is independently chosen from —CR 4 R 5 —, —NH—, —NR 4 —, —NO—, —O—, —NOR 4 —, —S—, —SO—, —SO 2 —, wherein R 4 and R 5 are defined as above; R 1 is chosen from a tocopherol, a steroid and a flavonoid; and R 6 is chosen from any R 1 , alkyl, substituted alkyl, cycloalkyl, substituted cycloalkyl, aryl, substituted aryl, aralkyl and substituted aralkyl.
• SYSTEMS AND METHODS FOR IDENTIFYING COMBINATIONS OF COMPOUNDS OF THERAPEUTIC INTEREST
  申请人：Califano Andrea

  公开号：US20090269772A1

  公开（公告）日：2009-10-29

  Systems, methods, and apparatus for searching for a combination of compounds of therapeutic interest are provided. Cell-based assays are performed, each cell-based assay exposing a different sample of cells to a different compound in a plurality of compounds. From the cell-based assays, a subset of the tested compounds is selected. For each respective compound in the subset, a molecular abundance profile from cells exposed to the respective compound is measured. Targets of transcription factors and post-translational modulators of transcription factor activity are inferred from the molecular abundance profile data using information theoretic measures. This data is used to construct an interaction network. Variances in edges in the interaction network are used to determine the drug activity profile of compounds in the subset of compounds. The drug activity profiles are used to form a filter set of compound combinations from the subset of compounds.
• SMALL MOLECULE MODULATORS OF PRONGF UPTAKE
  申请人：Hempstead Barbara L.

  公开号：US20110189310A1

  公开（公告）日：2011-08-04

  The present invention relates to a method of inhibiting cellular uptake of pro-nerve growth factor (proNGF) in a cell expressing neurotrophin p75 receptor in a mammal in need thereof. Such mammals include, for example, those suffering from neuropathological conditions. In another aspect, the invention relates to a method of promoting cellular uptake of proNGF in a cell expressing p75 NTR receptor in a mammal in need thereof. Such mammals include, for example, those suffering from conditions relating to human and other mammalian hair follicle cycling.