1-(6-溴己基)-4-甲氧基苯 | 23464-45-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1-(6-溴己基)-4-甲氧基苯
• 英文名称: 6-(4-methoxyphenyl)-hexyl bromide
• 英文别名: 1-(6-bromohexyl)-4-methoxybenzene；6-(4-methoxyphenyl)hexyl bromide；6-(4-Methoxyphenyl)-hexyl)-bromid；6-(4-Methoxy-phenyl)-hexylbromid；6-(4-Methoxyphenyl)-hexylbromid；6-(4-Methoxyphenyl)hexyl-bromid；Benzene, 1-(6-bromohexyl)-4-methoxy-
• CAS: 23464-45-1
• 化学式: C₁₃H₁₉BrO
• 分子量: 271.197
• InChiKey: OCSZBAHPQSTCNP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  15
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(6-溴己基)-4-甲氧基苯 在 potassium dihydrogenphosphate 、 sodium methylate 作用下， 以 乙醚 、 N,N-二甲基甲酰胺 为溶剂， 反应 38.17h， 生成 Methyl 3-cyano-3-hydroxy-4-[6-(4-methoxyphenyl)hexylsulfanyl]butanoate
  参考文献：
  名称：

  ATP-Citrate Lyase as a Target for Hypolipidemic Intervention. Design and Synthesis of 2-Substituted Butanedioic Acids as Novel, Potent Inhibitors of the Enzyme

  摘要：

  ATP-citrate lyase is the primary enzyme responsible for the synthesis of cytosolic acetyl-CoA in many tissues. Inhibitors of the enzyme represent a potentially novel class of hypolipidemic agent, which are anticipated to have combined hypocholesterolemic and hypotriglyceridemic properties. A series of a-substituted butanedioic acids have been designed and synthesized as inhibitors of the enzyme, The best compounds, 58, 68, 71, 74 have reversible K-i's in the 1-3 mu M range against the isolated rat enzyme, As representative of this compound class, 58, has been shown to exert its inhibitory action through a mainly competitive mechanism with respect to citrate and a noncompetitive one with respect to CoA. None of the inhibitors were able to inhibit cholesterol and/or fatty acid synthesis in HepG2 cells. This has been attributed to the adverse physicochemical properties of the molecules leading to a lack of cell penetration. Despite this, a lead structural class of compound has been identified with the potential for modification into potent, cell-penetrant, and efficacious inhibitors of ATP-citrate lyase.

  DOI：

  10.1021/jm960167w
• 作为产物：
  描述：

  6-溴-1-(4-甲氧基苯基)己烷-1-酮 在 钯 盐酸 作用下， 以 乙醇 为溶剂， 以95%的产率得到1-(6-溴己基)-4-甲氧基苯
  参考文献：
  名称：

  Aryl substituted diketones

  摘要：

  芳基取代的二酮和酮酯，可作为抗病毒剂和杀虫剂使用，通过将芳基烷基或芳基烯基碘化物与适当的二酮或酮酯的金属盐反应制备而成。

  公开号：

  US04171378A1

文献信息

• Methylenedioxyphenyl substituted aliphatic diketones
  申请人：Sterling Drug, Inc.

  公开号：US04093736A1

  公开（公告）日：1978-06-06

  Aryl substituted diketones and keto-esters, useful as antiviral agents and insecticides, are prepared by reacting an arylalkyl or arylalkenyl iodide with a metal salt of the appropriate diketone or keto-ester.

  芳基取代的二酮和酮酯，可用作抗病毒剂和杀虫剂，通过将芳基烷基或芳基烯基碘化物与适当的二酮或酮酯的金属盐反应制备。
• Aryl substituted ketones
  申请人：Sterling Drug Inc.

  公开号：US04125541A1

  公开（公告）日：1978-11-14

  Aryl substituted tertiary carbinols, useful as antiviral agents and insecticides, are prepared by reacting the Grignard reagent derived from an arylalkyl or arylalkenyl iodide with a dialkyl ketone or an alkyl alkenyl ketone; or by reacting an arylalkyl or arylalkenyl ketone with an alkyl- or alkenylmagnesium halide.

  芳基取代的三级碳醇，可用作抗病毒剂和杀虫剂，通过将从芳基烷基或芳基烯基碘化物衍生的格氏试剂与二烷基酮或烷烯基酮反应来制备；或通过将芳基烷基或芳基烯基酮与烷基或烯基镁卤化物反应来制备。
• 9H-Pyridu ((3,4-b) indole derivatives
  申请人：Schering Aktiengesellschaft

  公开号：US05880126A1

  公开（公告）日：1999-03-09

  9H-Pyrido\x9b3,4-b!indole compounds have a pronounced leukotriene-B.sub.4 antagonistic action, and thus show a completely different spectrum of activity than known .beta.-carbolines.

  9H-Pyrido[3,4-b]吲哚化合物具有明显的白三烯B4拮抗作用，因此显示出与已知的β-咔唑啉完全不同的活性谱。
• Aryl substituted cycloalkanones
  申请人：Sterling Drug Inc.

  公开号：US04125714A1

  公开（公告）日：1978-11-14

  Aryl substituted tertiary carbinols, useful as anti-viral agents and insecticides, are prepared by reacting the Grignard reagent derived from an arylalkyl or arylalkenyl iodide with a dialkyl ketone or an alkyl alkenyl ketone; or by reacting an arylalkyl or arylalkenyl ketone with an alkyl- or alkenylmagnesium halide. Corresponding cyclic tertiary carbinols are also prepared via intermediate cyclic ketones.

  取代芳基三级醇是一种有用的抗病毒剂和杀虫剂，通过将来自芳基烷基或芳基烯基碘化物的Grignard试剂与二烷基酮或烷基烯基酮反应来制备；或通过将芳基烷基或芳基烯基酮与烷基或烯基卤化镁反应来制备。相应的环状三级醇也可通过中间环状酮制备。
• Substituted azetidin-2-ones for treatment of atherosclerosis
  申请人：SmithKline Beecham p.l.c.

  公开号：US05990102A1

  公开（公告）日：1999-11-23

  Compounds of formula (I) in which R.sup.1 and R.sup.2, which may be the same or different, is each selected from hydrogen, halogen or C.sub.(1-8) alkyl; R.sup.3 is aryl or aryl C.sub.(1-4) alkyl which may be optionally substituted; X is a linker group; Y is an optionally substituted aryl group; and n is 0, 1 or 2; are inhibitors of the enzyme Lp-PLA.sub.2 and thereof of use in treating atherosclerosis.

  式(I)的化合物，其中R.sup.1和R.sup.2，可以相同也可以不同，均选择自氢、卤素或C.sub.(1-8)烷基；R.sup.3是芳基或芳基C.sub.(1-4)烷基，可以选择性地被取代；X是连接基；Y是可选择性被取代的芳基基团；n为0、1或2；是Lp-PLA.sub.2酶的抑制剂，因此可以用于治疗动脉粥样硬化。