2',6'-二羟基4',4-二甲氧基查耳酮 | 94441-99-3

• 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
• 中文名称: 2',6'-二羟基4',4-二甲氧基查耳酮
• 英文名称: 2',6'-Dihydroxy-4,4'-dimethoxychalcone
• 英文别名: (E)-1-(2,6-dihydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
• CAS: 94441-99-3
• 化学式: C₁₇H₁₆O₅
• 分子量: 300.3
• InChiKey: NXHNEWMDVUHUCV-VMPITWQZSA-N

物化性质

• LogP：
  4.350 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  76
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• WGK Germany：
  3

反应信息

• 作为反应物：
  描述：

  2',6'-二羟基4',4-二甲氧基查耳酮 、 trimethylsilyl 2,2,2-trifluoro-N-(trimethylsilyl)acetimidate 生成 (E)-1-[4-methoxy-2,6-bis(trimethylsilyloxy)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
  参考文献：
  名称：

  GREENAWAY, W.;WHATLEY, F. R., J. CHROMATOGR., 519,(1990) N, C. 145-158

  摘要：

  DOI：

文献信息

• Breast cancer-resistant protein inhibitor
  申请人：Yamazaki Ryuta

  公开号：US20060135445A1

  公开（公告）日：2006-06-22

  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，以及一种含有BCRP抑制剂的药物。所述BCRP抑制剂包含以下式(1)、(2)、(3)、(4)和(5)中的任何一种黄酮类化合物，以及它们的糖苷、酯或盐；以及含有BCRP抑制剂和可作为BCRP底物的抗癌药物。
• BREAST CANCER-RESISTANT PROTEIN INHIBITOR
  申请人：YAMAZAKI Ryuta

  公开号：US20080287374A1

  公开（公告）日：2008-11-20

  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抑制剂包含以下任一式（1）、（2）、（3）、（4）和（5）所表示的黄酮类化合物及其糖苷、酯或盐作为活性成分；以及含有BCRP抑制剂和可作为BCRP底物的抗癌剂的抗癌剂。
• GREENAWAY, W.;WHATLEY, F. R., J. CHROMATOGR., 519,(1990) N, C. 145-158
  作者：GREENAWAY, W.、WHATLEY, F. R.

  DOI：——

  日期：——
• 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.
• PEPTIDOMIMETIC MODULATORS OF CELL ADHESION
  申请人：Gour J. Barbara

  公开号：US20080081831A1

  公开（公告）日：2008-04-03

  Peptidomimetics of cyclic peptides, and compositions comprising such peptidomimetics are provided. The peptidomimetics have a three-dimensional structure that is substantially similar to a three-dimensional structure of a cyclic peptide that comprises a cadherin cell adhesion recognition sequence HAV. Methods for using such peptidomimetics for modulating cadherin-mediated cell adhesion in a variety of contexts are also provided.