5-(4-fluorophenoxy)-2-methylpyridine | 500369-00-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-(4-fluorophenoxy)-2-methylpyridine
• 英文别名: 5-(4-fluorophenyloxy)-2-methylpyridine
• CAS: 500369-00-6
• 化学式: C₁₂H₁₀FNO
• 分子量: 203.216
• InChiKey: UMGODSYCNZRLTH-UHFFFAOYSA-N

物化性质

• 沸点：
  277.2±30.0 °C(Predicted)
• 密度：
  1.169±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  22.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-(4-fluorophenoxy)-2-methylpyridine 在 lithium hydroxide 、 正丁基锂 作用下， 以 四氢呋喃 、 甲醇 、 正己烷 为溶剂， 生成 (Z)-3-[5-(4-fluorophenoxy)-2-pyridyl]-2-hydroxy-prop-2-enoic acid
  参考文献：
  名称：

  A platform for designing HIV integrase inhibitors. Part 1: 2-Hydroxy-3-heteroaryl acrylic acid derivatives as novel HIV integrase inhibitor and modeling of hydrophilic and hydrophobic pharmacophores

  摘要：

  We present a novel series of HIV integrase inhibitors, showing IC(50)s ranging from 0.01 to over 370 mu M in an enzymatic assay. Furthermore, pharmacophore modeling study for the inhibitors was carried out to elucidate the structure-activity relationships. Finally, we found a 3D-pharmacophorc model, which is composed of a hydrophilic and a hydrophobic domain, providing valuable information for designing other novel types of integrase inhibitors. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.08.044
• 作为产物：
  描述：

  3-羟基-6-甲基吡啶 、 对氟碘苯 在 potassium tert-butylate 、 铜 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以68%的产率得到5-(4-fluorophenoxy)-2-methylpyridine
  参考文献：
  名称：

  A platform for designing HIV integrase inhibitors. Part 1: 2-Hydroxy-3-heteroaryl acrylic acid derivatives as novel HIV integrase inhibitor and modeling of hydrophilic and hydrophobic pharmacophores

  摘要：

  We present a novel series of HIV integrase inhibitors, showing IC(50)s ranging from 0.01 to over 370 mu M in an enzymatic assay. Furthermore, pharmacophore modeling study for the inhibitors was carried out to elucidate the structure-activity relationships. Finally, we found a 3D-pharmacophorc model, which is composed of a hydrophilic and a hydrophobic domain, providing valuable information for designing other novel types of integrase inhibitors. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.08.044

文献信息

• Antiviral agent
  申请人：——

  公开号：US20040229909A1

  公开（公告）日：2004-11-18

  The present invention provides an integrase inhibitor. The inventors have have found the following compound of formula (I) possessing an integrase inhibitory activity. 1 (wherein, R C and R D taken together with the neighboring carbon atoms form a ring which may be a condensed ring, Y is hydroxy, mercapto or amino; Z is O, S or NH; R A is a group shown by 2 (wherein, C ring is N-containing aromatic heterocycle) or the like)

  本发明提供了一种整合酶抑制剂。发明人发现以下化合物具有整合酶抑制活性，其化学式为(I)。其中，RC和RD与相邻的碳原子一起形成一个环，该环可以是一个缩合环，Y是羟基，巯基或氨基; Z是O，S或NH; RA是由2所示的基团（其中，C环是含N的芳香杂环）或类似基团。
• Novel imidate insecticides
  申请人：ZENECA INC.

  公开号：EP0317265A2

  公开（公告）日：1989-05-24

  A series of novel imidate insecticides distinguished by the general formula . in which R1 is an optionally substituted aryl group in which the substituents are halo, C1-C4 alkyl, C1-C4 haloalkoxy, C1-C4 alkoxy, C1-C4 haloalkylthio, C3-C6 cycloalkyl, nitro, C1-C4 haloalkyl, C2-C5 carboalkoxy, C1-C4 alkylthio, cyano, C1-C4 alkylsulfonyl, C1-C4 haloalkylsulfonyl; C2-C5 alkylcarbonyl, C2-C4 alkyleneoxy, C1-C4 alkylenedioxy, C1-C3 halo-substituted alkylenedioxy, phenyl, mono-substituted phenyl, pyridyloxy, C2-C4 alkylene, C2-C4 alkenyl, and/or amido; R2 is C1-C7 alkyl, C1-C6 haloalkyl, cyclopropyl, cyclobutyl, mono- or poly- halo- or methyl-substituted cyclopropyl, cyano, C2-C4 alkoxyalkyl, C2-C6 haloalkenyl or C2-C6 alkenyl; and R3 is (a) an optionally substituted 3-phenoxyphenalkyl, 3-phenoxypyridyfalkyl, 3-(pyridyloxy)phenalkyl, 3-phenylaminophenalkyl, 3-benzylphenalkyl or benzyloxyphenalkyl moiety; (b) a benzylfuranylmethyl moiety; (c) a 3- or 4-substituted benzyl or tetrafluorobenzyl moiety; (d) 4-phenoxy-2-butyn-2-yl; (e) 2-methyl-3-phenylbenzyl, or (f) 4-(4-trifluoromethyl-2-pyridyloxy)benzyl.

  一系列新型亚胺酯类杀虫剂，其通式为. 其中 R1为任选取代的芳基，其中的取代基为卤代、C1-C4烷基、C1-C4卤代烷氧基、C1-C4烷氧基、C1-C4卤代烷基硫代、C3-C6环烷基、硝基、C1-C4卤代烷基、C2-C5羧基烷氧基、C1-C4烷基硫代、氰基、C1-C4烷基磺酰基、C1-C4卤代烷基磺酰基；C2-C5烷基羰基、C2-C4亚烷氧基、C1-C4亚烷基二氧基、C1-C3卤代亚烷基二氧基、苯基、单取代苯基、吡啶氧基、C2-C4亚烷基、C2-C4烯基和/或氨基； R2 是 C1-C7 烷基、C1-C6 卤代烷基、环丙基、环丁基、单-或多-卤代或甲基取代环丙基、氰基、C2-C4 烷氧基烷基、C2-C6 卤代烯基或 C2-C6 烯基；和 R3 是 (a) 任选取代的 3-苯氧基苯烷基、3-苯氧基吡啶烷基、3-（吡啶氧基）苯烷基、3-苯氨基苯烷基、3-苄基苯烷基或苄氧基苯烷基；(b) 苄基呋喃甲基； (c) 3-或 4-取代的苄基或四氟苄基； (d) 4-苯氧基-2-丁炔-2-基； (e) 2-甲基-3-苯基苄基，或 (f) 4-(4-三氟甲基-2-吡啶氧基)苄基。
• Antiviral Agent
  申请人：SHIONOGI & CO., LTD.

  公开号：EP2181985A1

  公开（公告）日：2010-05-05

  The present invention provides an integrase inhibitor. The inventors have have found the following compound of formula (I) possessing an integrase inhibitory activity. (wherein, RC and RD taken together with the neighboring carbon atoms form a ring which may be a condensed ring, Y is hydroxy, mercapto or amino; Z is O, S or NH ; RA is a group shown by (wherein, C ring is N-containing aromatic heterocycle) or the like)

  本发明提供了一种整合酶抑制剂。本发明者发现了以下具有整合酶抑制活性的式 (I) 化合物。 (其中，RC 和 RD 与邻近的碳原子共同形成一个环，该环可以是缩合环；Y 是羟基、巯基或氨基；Z 是 O、S 或 NH； RA 是以下所示的基团 (其中，C 环为含 N 的芳香杂环）或类似物）。
• ANTIVIRAL AGENT
  申请人：SHIONOGI & CO., LTD.

  公开号：EP1422218B1

  公开（公告）日：2012-03-21
• Inhibitors of Hepatitis C Virus
  申请人：Zhong Min

  公开号：US20130302282A1

  公开（公告）日：2013-11-14

  A class of compounds that inhibit Hepatitis C Virus (HCV) is disclosed, along with compositions containing the compound, and methods of using the composition for treating individuals infected with HCV.