1-(bromomethyl)-4-phenethylbenzene | 79757-91-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 1-(bromomethyl)-4-phenethylbenzene
• 英文别名: p-(2-phenylethyl)benzyl bromide；1-(4-bromomethyl)phenyl-2-phenylethane；4-(phenethyl)-benzyl bromide；1-(bromomethyl)-4-(2-phenylethyl)benzene
• CAS: 79757-91-8
• 化学式: C₁₅H₁₅Br
• 分子量: 275.188
• InChiKey: LZKFTZRPXFQLHC-UHFFFAOYSA-N

物化性质

• 沸点：
  334.7±11.0 °C(Predicted)
• 密度：
  1.295±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1-(bromomethyl)-4-phenethylbenzene 在 吡啶 、 4-二甲氨基吡啶 、 硼烷四氢呋喃络合物 、 lithium hydroxide monohydrate 、 potassium carbonate 、 N,N'-羰基二咪唑 、 sodium hydroxide 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 45.25h， 生成 4-((3-carboxy-N-(2-((4-phenethylbenzyl)oxy)phenethyl)propanamido)methyl)benzoic acid hydrochloride
  参考文献：
  名称：

  Insights into Soluble Guanylyl Cyclase Activation Derived from Improved Heme-Mimetics

  摘要：

  Recently, the structure of BAY 58-2667 bound to the Nostoc sp. H-NOX domain was published. On the basis of this structural information, we designed BAY 58-2667 derivatives and tested their effects on soluble guanylyl cyclase (sGC) activity. Derivative 20 activated sGC 4.8-fold more than BAY 58-2667. Co-crystallization of 20 with the Ns H-NOX domain revealed that the increased conformational distortion at the C-terminal region of alpha F helix containing 110-114 residues contributes to the higher activation triggered by 20.

  DOI：

  10.1021/jm400539d
• 作为产物：
  描述：

  苯甲酸,4-(2-苯基乙基)-,甲基酯 在 lithium aluminium tetrahydride 、 四溴化碳 、 三苯基膦 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 3.0h， 生成 1-(bromomethyl)-4-phenethylbenzene
  参考文献：
  名称：

  Insights into Soluble Guanylyl Cyclase Activation Derived from Improved Heme-Mimetics

  摘要：

  Recently, the structure of BAY 58-2667 bound to the Nostoc sp. H-NOX domain was published. On the basis of this structural information, we designed BAY 58-2667 derivatives and tested their effects on soluble guanylyl cyclase (sGC) activity. Derivative 20 activated sGC 4.8-fold more than BAY 58-2667. Co-crystallization of 20 with the Ns H-NOX domain revealed that the increased conformational distortion at the C-terminal region of alpha F helix containing 110-114 residues contributes to the higher activation triggered by 20.

  DOI：

  10.1021/jm400539d

文献信息

• Multicyclic tertiary amine polyaromatic squalene synthase inhibitors
  申请人：Rhone-Poulenc Rorer Pharmaceuticals Inc.

  公开号：US05385912A1

  公开（公告）日：1995-01-31

  This invention relates to polycyclic compounds containing two mono- and/or bicyclic rings and a basic tertiary amino group capable of forming an ammonium ion at biological pH and which reduces levels of serum cholesterol in the body without significantly reducing mevalonic metabolite synthesis. This invention relates also to pharmacological compositions and method of treatment for lowering serum cholesterol levels using the compounds of this invention. The compounds of this invention are described by the formula ##STR1## where Ar I is phenylene or naphthylene, Ar II is phenyl or naphthyl and A is 1-azabicyclo[2.2.2]octan-3-yl.

  这项发明涉及含有两个单环和/或双环环的多环化合物，以及在生物pH下能够形成铵离子并在不显著减少麦角酸代谢产物合成的情况下降低体内血清胆固醇水平的碱性三级胺基团。这项发明还涉及使用本发明的化合物降低血清胆固醇水平的药物组合物和治疗方法。本发明的化合物由以下式描述：##STR1## 其中Ar I为苯基或萘基，Ar II为苯基或萘基，A为1-氮杂双环[2.2.2]辛烷-3-基。
• Antiviral ethers of aspartate protease substrate isosteres
  申请人：Ciba-Geigy Corporation

  公开号：US05663200A1

  公开（公告）日：1997-09-02

  Antiretroviral compounds (which are effective, for example, against HIV) of the formula I ##STR1## in which R.sub.1 is an acyl radical lower-alkoxyl-lower-alkanoyl whose lower alkoxy radical is unsubstituted or is substituted by halogen, phenyl, lower alkoxy or a heterocyclic radical selected from piperidinyl, pyrrolidinyl, tetrahydropyranyl, tetrahydrofuranyl, thiazolidinyl, thiazolyl, indolyl or 4H-1-benzopyranyl which is unsubstituted or substituted by oxo, hydroxyl, amine, lower alkyl, lower-alkoxycarbonyl and/or phenyl-lower-alkoxycarbonyl; lower alkanoyl which is unsubstituted or is substituted by one of the said unsubstituted or substituted heterocyclic radicals; arylcarbonyl or heterocyclylcarbonyl which are substituted by heterocyclyl or heterocyclyl-lower-alkyl; phenyl-lower-alkanoyl which is substituted by hydroxyl and lower alkyl; or arylsulfonyl; or the residue of an amino acid which is defined in accordance with the description (and which may be acylated on the amino nitrogen by one of the abovementioned acyl radicals); R.sub.2 and R.sub.3 are in each case cyclohexyl, cyclohexenyl, phenyl, naphthyl or tetrahydronaphthyl which are unsubstituted or substituted by lower alkyl, phenyl, cyanophenyl, phenyl-lower-alkyl, halogen, halo-lower-alkyl, cyano, hydroxyl, lower alkoxy, phenyl-lower-alkoxyl, pyridyl-lower-alkoxy, lower-alkoxy-lower-alkoxy, lower-alkoxycarbonyl-lower-alkoxy, carboxyl-lower-alkoxy, hydroxyl-lower-alkoxy, carbamoyl-lower-alkoxy, cyano-lower-alkoxy, and phenyl-lower-alkanesulfonyl which is unsubstituted or substituted by halogen; R.sub.4 is lower alkyl, cyclohexyl or phenyl; and R.sub.5 is lower alkyl; and n is 1 or 2, or salts thereof, are novel.

  抗逆转录病毒化合物（例如对抗HIV有效）的化学式为I ##STR1## 其中R.sub.1是酰基基团的低烷氧基-低烷酰基，其低烷氧基团未取代或被卤素、苯基、低烷氧基或从哌啶基、吡咯啉基、四氢吡喃基、四氢呋喃基、噻唑啉基、噻唑基、吲哚基或4H-1-苯并吡喃基中选择的杂环基团取代；未取代或被上述未取代或取代的杂环基团之一取代的低烷酰基；被杂环基或杂环基-低烷基取代的芳基酰基或杂环基酰基；被羟基和低烷基取代的苯基-低烷酰基；或芳基磺酰基；或根据描述定义的氨基酸残基（可能在氨基氮上由上述酰基基团之一酰化）；R.sub.2和R.sub.3分别为环己基、环己烯基、苯基、萘基或四氢萘基，未取代或被低烷基、苯基、氰苯基、苯基-低烷基、卤素、卤代低烷基、氰基、羟基、低烷氧基、苯基-低烷氧基、吡啶基-低烷氧基、低烷氧基-低烷氧基、低烷氧基羰基-低烷氧基、羧基-低烷氧基、羟基-低烷氧基、氨基甲酰基-低烷氧基、氰基-低烷氧基和未取代或被卤素取代的苯基-低烷烷基磺酰基取代；R.sub.4为低烷基、环己基或苯基；R.sub.5为低烷基；n为1或2，或其盐，均为新颖的。
• [EN] 2,6-DISUBSTITUTED PYRIDINES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS<br/>[FR] PYRIDINES 2,6-DISUBSTITUÉES COMME ACTIVATEURS DE LA GUANYLATE CYCLASE SOLUBLE
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2009071504A1

  公开（公告）日：2009-06-11

  Disclosed are compounds of formula (I) wherein R1 and R2 are independently selected from hydrogen, halo, CF3, C1-4alkyl and allyl; Y represents (II), (III), (IV) or (V) wherein R3 represents CF3 or C1-4alkyl; and R3a represents CF3 or C1-4alkyl.

  公开的是式（I）的化合物，其中R1和R2分别选自氢、卤素、CF3、C1-4烷基和烯丙基；Y代表（II）、（III）、（IV）或（V），其中R3代表CF3或C1-4烷基；而R3a代表CF3或C1-4烷基。
• Pyridinium and quinolinium derivatives as Choline kinase inhibitors
  申请人：Consejo Superior De Investigaciones Científicas

  公开号：EP2085386A2

  公开（公告）日：2009-08-05

  The invention provides compounds of formula I blocking phosphorylcholine biosynthesis by means of the selective blocking of the choline kinase enzyme in tumor cells or in cells affected by parasitic infection and therefore being applicable in the treatment of tumors and parasitic diseases or diseases produced by viruses and fungi in animals, including human beings; as well as to a method for preparing the compounds of the invention and certain intermediates of said method.

  本发明提供了通过选择性阻断肿瘤细胞或受寄生虫感染细胞中的胆碱激酶，从而阻断磷酸胆碱生物合成的式 I 化合物，因此适用于治疗肿瘤和寄生虫病或由病毒和真菌引起的动物（包括人类）疾病；以及制备本发明化合物的方法和所述方法的某些中间体。
• DERIVATIVES OF PYRIDINE AND QUINOLINE
  申请人：CONSEJO SUPERIOR INVESTIGACIONES CIENTIFICAS (CSIC)

  公开号：EP1710236B1

  公开（公告）日：2010-03-24