3'-Bromo-5'-chloro-2'-hydroxy-3,4,5-trimethoxychalcone

• 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: 3'-Bromo-5'-chloro-2'-hydroxy-3,4,5-trimethoxychalcone
• 英文别名: (E)-1-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
• 化学式: C₁₈H₁₆BrClO₅
• 分子量: 427.7
• InChiKey: HNYMRQBWNRUCOR-SNAWJCMRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  25
• 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：
  65
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• BREAST CANCER-RESISTANT PROTEIN INHIBITOR
  申请人：KABUSHIKI KAISHA YAKULT HONSHA

  公开号：EP1591112A1

  公开（公告）日：2005-11-02

  The invention provides a cancer cell useful in screening BCRP-inhibitors, and a BCRP-inhibitor. The BCRP-inhibitor contains, as the active ingredient, a flavonoid represented by any of the following formulae (1), (2), (3), (4), and (5): and glycosides, esters, or salts thereof; and an anticancer agent containing the BCRP-inhibitor together with an anticancer agent available as the substrate of BCRP.

  本发明提供了一种用于筛选 BCRP 抑制剂的癌细胞，以及一种 BCRP 抑制剂。 BCRP 抑制剂作为活性成分，含有由下式(1)、(2)、(3)、(4)和(5)中任何一种代表的黄酮类化合物： 及其糖苷、酯或盐；以及含有 BCRP 抑制剂和可作为 BCRP 底物的抗癌剂的抗癌剂。
• 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.
• ESTROGEN RECEPTOR ALPHA COLIGANDS, AND METHODS OF USE THEREOF
  申请人：The Regents of the University of California

  公开号：US20190008797A1

  公开（公告）日：2019-01-10

  Provided herein is a coligand for the estrogen receptor (ER) a subunit, and methods of use thereof in treating conditions associated with ER signaling in an individual. The present ERα coligand may be a cell type-selective, allosteric modulator of ERα signaling. The ERα coligand, when administered to an individual, may modulate ER agonist-dependent signaling in a tissue-selective manner.
• [EN] COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF<br/>[FR] COMPOSES PRESENTANT UNE ACTIVITE INHIBITRICE DE L'ECOULEMENT, COMPOSITIONS ET UTILISATIONS DE CEUX-CI
  申请人：EASTMAN CHEM CO

  公开号：WO2007115181A9

  公开（公告）日：2008-04-03

  [EN] At least one compound chosen from compounds of Formula 1: 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 R₂, R₃, R₄ and R₅ is independently chosen from -H, alkyl, substituted aikyl, cycloalkyl, substituted cycloalkyl, aryl, substituted aryl, aralkyl and substituted aralkyl; Z' is chosen from -O-, -N-, -NO-, - NR₄-, -S-, -SO- and -SO₂-, wherein R₄ is defined as above; each of X, X', Y and Z is independently chosen from -CR₄R₅-, -NH-, -NR₄-, -NO-. -O-, -NOR₄-, -S-, -SO-, -SO₂-, wherein R₄ and R₅ are defined as above; R₁ is chosen from a tocopherol, a steroid and a flavonoid; and R₆, is chosen from any R₁, alkyl. substituted alkyl, cycloalkyl, substituted cycloalkyl, aryl, substituted aryl, aralkyl and substituted aralkyl.
  [FR] La présente invention concerne au moins un composé choisi parmi les composés de formule 1 : un sel ou un ester pharmaceutiquement acceptable de celui-ci, un solvate de celui-ci, un chélate de celui-ci, un complexe non covalent de celui-ci, un promédicament de celui-ci et des mélanges de ces derniers, n étant un nombre de 1 à 900, les unités individuelles pouvant être identiques ou différentes, W étant choisi parmi l'alkyle, l'alkyle substitué, le cycloalkyle, le cycloalkyle substitué, l'aryle, l'aryle substitué, l'aralkyle et l'aralkyle substitué, R₂, R₃, R₄ et R₅ étant chacun indépendamment choisi parmi -H, alkyle, alkyle substitué, cycloalkyle, cycloalkyle substitué, aryle, aryle substitué, aralkyle et aralkyle substitué, Z' étant choisi parmi -O-, -N-, -NO-, - NR₄-, -S-, -SO- et -SO₂-, R₄ étant tel que défini ci-dessus, X, X', Y et Z étant chacun indépendamment choisi parmi -CR₄R₅-, -NH-, -NR₄-, -NO-, -O-, -NOR₄-, -S-, -SO-, -SO₂-, R₄ et R₅ étant tels que définis ci-dessus, R₁ étant choisi parmi un tocophérol, un stéroïde et un anthoxanthine, et R₆ étant choisi parmi R₁, alkyle, alkyle substitué, cycloalkyle, cycloalkyle substitué, aryle, aryle substitué, aralkyle et aralkyle substitué.
• [EN] ESTROGEN RECEPTOR ALPHA COLIGANDS, AND METHODS OF USE THEREOF<br/>[FR] CO-LIGANDS DES RÉCEPTEURS DES OESTROGÈNES ALPHA ET LEURS PROCÉDÉS D'UTILISATION
  申请人：UNIV CALIFORNIA

  公开号：WO2017132135A1

  公开（公告）日：2017-08-03

  Provided herein is a coligand for the estrogen receptor (ER) α subunit, and methods of use thereof in treating conditions associated with ER signaling in an individual. The present ERα coligand may be a cell type-selective, allosteric modulator of ERα signaling. The ERα coligand, when administered to an individual, may modulate ER agonist-dependent signaling in a tissue-selective manner.