1-(3,5-dibromo-4-hydroxy-phenyl)-hexan-1-one | 20683-49-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(3,5-dibromo-4-hydroxy-phenyl)-hexan-1-one
• 英文别名: 1-(3,5-Dibrom-4-hydroxy-phenyl)-hexan-1-on；1-(3,5-Dibromo-4-hydroxyphenyl)-1-hexanone；1-(3,5-dibromo-4-hydroxyphenyl)hexan-1-one
• CAS: 20683-49-2
• 化学式: C₁₂H₁₄Br₂O₂
• 分子量: 350.05
• InChiKey: MMVNJSDRAXLBPM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4'-羟基苯己酮 在 溴 、 溶剂黄146 作用下， 生成 1-(3,5-dibromo-4-hydroxy-phenyl)-hexan-1-one
  参考文献：
  名称：

  Synthesis, Biochemical Evaluation and Rationalisation of a Series of 3,5- Dibromo Derivatives of 4-Hydroxyphenyl Ketone-Based Compounds as Probes of the Active Site of Type 3 of 17β-Hydroxysteroid Dehydrogenase (17β-HSD3) and the Role of Hydrogen Bonding Interaction in the Inhibition of 17β-HSD3

  摘要：

  我们报告了系列3,5-二溴-4-羟基苯基酮衍生物的合成、评价及其抑制活性的合理化，这些化合物作为17β-羟基类固醇脱氢酶（17β-HSD3）第三类活性位点的探针。结果支持了氢键相互作用在抑制17β-HSD3中的重要作用。

  DOI：

  10.2174/157018012800672994

文献信息

• Chemiluminescent composition, and a reactive component suitable for such a composition
  申请人：FARMITALIA CARLO ERBA S.r.l.

  公开号：EP0251139A2

  公开（公告）日：1988-01-07

  The invention relates to a chemiluminescent composition, ie one which emits light when its various constituent components are mixed together. The composition consists of a least two separate solutions of at least one oxalate, at least one fluorescent substance, hydrogen peroxide and at least one catalyst, in which those componenets which react together are kept separated. The characteristic of the 9,10-bis(phenylethynyl)anthracene is that the oxalate is a bis(dihalo-acylphenyl)oxalate. This compound is easily and economically produced and is easily soluble in the solvents used, to provide high-intensity light emission for long time periods. The 2,4- or 2,6-acyl substituted phenyloxalate also forms a subject matter of the invention.

  本发明涉及一种化学发光组合物，即当各种成分混合在一起时会发光的组合物。 该组合物由至少一种草酸盐、至少一种荧光物质、过氧化氢和至少一种催化剂的至少两种独立溶液组成，其中一起反应的成分是分开的。9,10-双（苯乙炔基）蒽的特点是草酸盐是双（二卤酰基苯基）草酸盐。这种化合物易于生产，经济实惠，而且易溶于所用溶剂，可长时间发出高强度的光。2,4- 或 2,6- 乙酰基取代的苯基草酸盐也是本发明的一个主题。
• Buu-Hoi et al., Journal of the Chemical Society, 1954, p. 1034,1037
  作者：Buu-Hoi et al.

  DOI：——

  日期：——
• US4784803A
  申请人：——

  公开号：US4784803A

  公开（公告）日：1988-11-15
• Synthesis, Biochemical Evaluation and Rationalisation of a Series of 3,5- Dibromo Derivatives of 4-Hydroxyphenyl Ketone-Based Compounds as Probes of the Active Site of Type 3 of 17β-Hydroxysteroid Dehydrogenase (17β-HSD3) and the Role of Hydrogen Bonding Interaction in the Inhibition of 17β-HSD3
  作者：Moniola S. Olusanjo、Shreena N. Mashru、Timothy Cartledge、Sabbir Ahmed

  DOI：10.2174/157018012800672994

  日期：2012.5.1

  We report the synthesis, evaluation and rationalisation of the inhibitory activity of a series of 3,5-dibromo derivatives of 4-hydroxyphenyl ketone as probes of the active site of the type 3 of 17β-hydroxysteroid dehydrogenase (17β-HSD3). The results support the important role of hydrogen bonding interaction in the inhibition of 17β-HSD3.

  我们报告了系列3,5-二溴-4-羟基苯基酮衍生物的合成、评价及其抑制活性的合理化，这些化合物作为17β-羟基类固醇脱氢酶（17β-HSD3）第三类活性位点的探针。结果支持了氢键相互作用在抑制17β-HSD3中的重要作用。