α-bromo-(4-fluorophenyl)acetone | 71827-48-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: α-bromo-(4-fluorophenyl)acetone
• 英文别名: 2-bromo-1-(4-fluorophenyl)ethanone；1-bromo-1-(4-fluorophenyl)acetone；1-Bromo-1-(4-fluorophenyl)propan-2-one
• CAS: 71827-48-0
• 化学式: C₉H₈BrFO
• 分子量: 231.064
• InChiKey: PJCBCAKXGPOICB-UHFFFAOYSA-N

物化性质

• 沸点：
  250.4±25.0 °C(Predicted)
• 密度：
  1.500±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  α-bromo-(4-fluorophenyl)acetone 在 三氯化铝 作用下， 以 溶剂黄146 为溶剂， 生成 3-[benzyl(methyl)amino]-1-(4-fluorophenyl)-1-phenylpropan-2-one
  参考文献：
  名称：

  取代3-氨基-1,1-二芳基-2-丙醇作为潜在的抗抑郁药。

  摘要：

  在发现3-（二甲基氨基）-1,1-二苯基-2-丙醇氢溴酸盐（1）在小鼠中具有有效的利血平预防活性后，合成了一系列类似物1，并被评估为潜在的抗抑郁药。评价了几种类似物1的途径，其中最普遍适用的是用适当的胺将适当官能化的1，1-二芳基-2，3-环氧丙烷（从相应的二苯甲酮分三个阶段获得）的区域特异性开环。评价了该系列中更有趣的化合物引起不期望的外周抗胆碱能作用的倾向，所有测试的化合物在该参数上的活性均明显低于丙咪嗪。基于其在抑郁症的生化和药理动物模型中的良好活性，

  DOI：

  10.1021/jm00197a018
• 作为产物：
  描述：

  4-氟苯基丙酮 在 溴 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 α-bromo-(4-fluorophenyl)acetone
  参考文献：
  名称：

  WO2008/63116

  摘要：

  公开号：

文献信息

• 6-CYCLOAMINO-3-(PYRID-4-YL)IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF
  申请人：ALMARIO GARCIA Antonio

  公开号：US20100179154A1

  公开（公告）日：2010-07-15

  The invention relates to the 6-cycloamino-3-(pyridin-4-yl)imidazo[I,2-b]pyridazine derivatives corresponding to general formula (I): Wherein R 2 , R 3 , R 7 , R 8 , A, L and B are as defined herein. Also disclosed are the preparative methods and therapeutic use thereof.

  该发明涉及与一般式(I)相对应的6-环氨基-3-(吡啶-4-基)咪唑并[1,2-b]吡啶嗪衍生物。其中R2、R3、R7、R8、A、L和B的定义如本文所述。还公开了其制备方法和治疗用途。
• Imidazole compounds as anti-inflammatory and analgesic agents
  申请人：——

  公开号：US20030220372A1

  公开（公告）日：2003-11-27

  This invention provides a compound of the formula (I): 1 wherein: R 1 represents a hydrogen atom, an alkyl group, etc.; R 2 represents a hydrogen atom, a halogen atom, etc.; R 3 represents a hydrogen atom, an alkyl group, etc.; R 4 represents an aryl group, etc.; A represents an aryl 1 , etc; B represents an alkylene etc.; X represents NH, etc.; or a pharmaceutically acceptable ester of such compound, and pharmaceutically acceptable salts thereof. These compounds are useful for the treatment of medical conditions mediated by prostaglamndin such as pain, fever or inflammation, etc. This invention also provides a pharmaceutical composition comprising the above compound.

  这项发明提供了化合物的结构式(I)： 其中： R1代表氢原子、烷基等； R2代表氢原子、卤原子等； R3代表氢原子、烷基等； R4代表芳基等； A代表芳基1等； B代表烷基等； X代表NH等； 或者该化合物的药学上可接受的酯，及其药学上可接受的盐。这些化合物可用于治疗由前列腺素介导的医疗状况，如疼痛、发热或炎症等。该发明还提供了包含上述化合物的药物组合物。
• Benzamide derivatives and their use as apob-100 and mtp inhibitors
  申请人：——

  公开号：US20040024215A1

  公开（公告）日：2004-02-05

  The present invention relates to a compound of formula (I); wherein R 1 represents isopropyl or trifluoromethyl; R 2 represents hydrogen, C 1-4 alkyl, chloro, fluoro or trifluoromethyl; R 3 represents(i) phenyl, optionally substituted by cyano, halogen, trifluoromethyl or an optionally substituted 5-membered heteroaromatic group, where optional substitution is effected by C 1-4 alkyl, (ii) a 5-membered heteroaromatic group, optionally substituted by halogen, cyano or C 1-4 alkyl, (ii) aminocabonyl, or(iv) ethyl or eth-1-enyl; R 4 represents cyano, methyl, acetyl, a 5-membered heteoaromatic group, optionally substituted by C 1-4 alkyl or phenyl or a group X—Y-Z; X represents a carboxy, oxo, C 1-6 alkylene, carboxamido or thiocarboxamido linking group; Y represents a direct link or C 1-4 alkylene, Z represents (i) hydrogen, (ii) trifluoromethyl, (iii) cyano, (iv) phenyl (v) a 5- or 6-membered heteroaromatic group, optionally substituted by C 1-4 alkyl, with the proviso that when X represents C 1-4 alkylene, Y and Z do not represent a direct link and hydrogen respectively, or when X represents oxo, Y and Z do not represent C 1-6 alkylene and hydrogen respectively; or a physiologically acceptable salt, solvate or derivative thereof, to compositions comprising the compound, processes for their preparation and their use in treating conditions ameliorated by an apoB-100 and/or MTP inhibitor. 1

  本发明涉及一种具有如下结构的化合物（I）；其中R1代表异丙基或三氟甲基；R2代表氢、C1-4烷基、氯、氟或三氟甲基；R3代表（i）苯基，可选择由氰基、卤素、三氟甲基或可选择由C1-4烷基取代的5-成员杂芳基取代，（ii）一个可选择由卤素、氰基或C1-4烷基取代的5-成员杂芳基，（iii）氨基甲酰基，或（iv）乙基或乙-1-烯基；R4代表氰基、甲基、乙酰基、一个可选择由C1-4烷基或苯基取代的5-成员杂芳基，或一个X—Y-Z基团；X代表羧基、氧代、C1-6烷基、羧胺基或硫代羧胺基连接基团；Y代表直接键或C1-4烷基，Z代表（i）氢、（ii）三氟甲基、（iii）氰基、（iv）苯基、（v）一个可选择由C1-4烷基取代的5-或6-成员杂芳基，但有一个条件，即当X代表C1-4烷基时，Y和Z不分别代表直接键和氢，或当X代表氧代时，Y和Z不分别代表C1-6烷基和氢；或其生理上可接受的盐、溶剂合物或衍生物，以及包含该化合物的组合物、其制备方法及其在治疗由apoB-100和/或MTP抑制剂改善的疾病中的用途。
• INFLAMMATORY CYTOKINE RELEASE INHIBITOR
  申请人：MUTO Susumu

  公开号：US20090192122A2

  公开（公告）日：2009-07-30

  A medicament having inhibitory activity against NF-κB activation, which comprises a compound represented by the following general formula (I) or a pharmacologically acceptable salt as an active ingredient: wherein X represents a connecting group, A represents hydrogen atom or acetyl group, E represents an aryl group or a heteroaryl group, and ring X represents an arene or a heteroarene.

  一种具有抑制NF-κB激活活性的药物，其包括以下通式(I)所表示的化合物或其药理学上可接受的盐作为活性成分：其中X代表连接基，A代表氢原子或乙酰基，E代表芳基或杂芳基，环X代表芳烃或杂芳烃。
• Nf-kb activation inhibitors
  申请人：Muto Susumu

  公开号：US20060089395A1

  公开（公告）日：2006-04-27

  A medicament having inhibitory activity against NF-κB activation which comprises as an active ingredient a substance selected from the group consisting of a compound represented by the following general formula (I) and a pharmacologically acceptable salt thereof, and a hydrate thereof and a solvate thereof: wherein A represents hydrogen atom or acetyl group, E represents a 2,5-di-substituted or a 3,5-di-substituted phenyl group, or a monocyclic or a fused polycyclic heteroaryl group which may be substituted, provided that the compound wherein said heteroaryl group is circle around (1)} a fused polycyclic heteroaryl group wherein the ring which binds directly to —CONH— group in the formula (I) is a benzene ring, circle around (2)} unsubstituted thiazol-2-yl group, or circle around (3)} unsubstituted benzothiazol-2-yl group is excluded, ring Z represents an arene which may have one or more substituents in addition to the group represented by formula —O-A wherein A has the same meaning as that defined above and the group represented by formula —CONH-E wherein E has the same meaning as that defined above, or a heteroarene which may have one or more substituents in addition to the group represented by formula —O-A wherein A has the same meaning as that defined above and the group represented by formula —CONH-E wherein E has the same meaning as that defined above.

  一种药物具有抑制NF-κB活化作用，其包括以下通式(I)所表示的化合物或其药学上可接受的盐、水合物和溶剂化物作为活性成分，其中A代表氢原子或乙酰基，E代表2,5-二取代或3,5-二取代苯基或单环或融合的多环杂环芳基，其可以被取代，但在所述杂环芳基是圆圈(1)}在公式(I)中直接结合—CONH—基团的环为苯环的融合多环杂环芳基，圆圈(2)}未取代的噻唑-2-基团，或者圆圈(3)}未取代的苯并噻唑-2-基团时，不包括该化合物，环Z代表一个芳香烃，除了由公式—O-A所表示的基团外，它也可以有一个或多个取代基，其中A具有与上述定义相同的含义，公式—CONH-E所表示的基团E具有与上述定义相同的含义。