N-[(3-phenoxyphenyl)methyl]-1-phenylmethanamine | 179056-63-4

• 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: N-[(3-phenoxyphenyl)methyl]-1-phenylmethanamine
• CAS: 179056-63-4
• 化学式: C₂₀H₁₉NO
• mdl: MFCD01475481
• 分子量: 289.377
• InChiKey: IOJKUMGNJDXNOQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-[(3-phenoxyphenyl)methyl]-1-phenylmethanamine 、 异氰酸异丙酯 生成 1-Benzyl-3-isopropyl-1-(3-phenoxybenzyl)urea
  参考文献：
  名称：

  Trisubstituted ureas as potent and selective mPGES-1 inhibitors

  摘要：

  A novel series of trisubstituted ureas has been identified as potent and selective mPGES-1 inhibitors. These compounds are selective over other prostanoid enzymes such as PGF synthase and TX synthase. This series of inhibitors was developed by lead optimization of a hit from an internal HTS campaign. Lead compound 42 is potent in A549 cell assay (IC50 of 0.34 mu M) and in human whole blood assay (IC50 of 2.1 mu M). An efficient and versatile one-pot strategy for the formation of ureas, involving a reductive amination, was developed to generate these inhibitors. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.01.006
• 作为产物：
  描述：

  3-苯氧基苄胺 、 苯甲醛 在 溶剂黄146 、 三乙酰氧基硼氢化钠 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 19.0h， 生成 N-[(3-phenoxyphenyl)methyl]-1-phenylmethanamine
  参考文献：
  名称：

  Trisubstituted ureas as potent and selective mPGES-1 inhibitors

  摘要：

  A novel series of trisubstituted ureas has been identified as potent and selective mPGES-1 inhibitors. These compounds are selective over other prostanoid enzymes such as PGF synthase and TX synthase. This series of inhibitors was developed by lead optimization of a hit from an internal HTS campaign. Lead compound 42 is potent in A549 cell assay (IC50 of 0.34 mu M) and in human whole blood assay (IC50 of 2.1 mu M). An efficient and versatile one-pot strategy for the formation of ureas, involving a reductive amination, was developed to generate these inhibitors. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.01.006

文献信息

• [EN] BENZENE, PYRIDINE, NAPHTALENE OR BENZOPHENONE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE<br/>[FR] DERIVES DE BENZENE, PYRIDINE, NAPHTALENE OU BENZOPHENONE UTILISES COMME INHIBITEURS DE LA SQUALENE SYNTHETASE ET DE LA PROTEINE FARNESYLTRANSFERASE
  申请人：ABBOTT LABORATORIES

  公开号：WO1996034851A1

  公开（公告）日：1996-11-07

  (EN) The present invention provides a compound of formula (I), (II), (III) or (IV), processes for the preparation of the compounds of the invention, intermediates useful in these processes, a pharmaceutical composition, and methods of using the compounds of the invention.(FR) La présente invention se rapporte à des composés de la formule (I), (II), (III) ou (IV), aux procédés de préparation de ces composés, aux intermédiaires utilisés dans ces procédés, à une composition pharmaceutique et aux procédés d'utilisation de ces composés.

  该发明提供了公式（I），（II），（III）或（IV）的化合物，制备该发明化合物的方法，这些方法中有用的中间体，制药组合物以及使用该发明化合物的方法。
• UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP0784612A1

  公开（公告）日：1997-07-23
• [EN] UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS<br/>[FR] DERIVES D'UREE ET LEUR UTILISATION COMME INHIBITEURS DE L'ACAT
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：WO1996010559A1

  公开（公告）日：1996-04-11

  (EN) Urea derivatives of formula (I), wherein R1 is a group of formula (1) (in which R4 is aryl which may have suitable substituent(s), or heterocyclic group which may have suitable substituent(s), and Y is bond, lower alkylene, -S-, -O-, (a), =CH-, -CONH-, (b), (in which R7 is lower alkyl), -NHSO2-, -SO2NH-, -SO2NHCO- or -CONHSO2-); or thiazolyl, imidazolyl, pyrazolyl, pyridyl, thienyl, furyl, isoxazolyl or chromanyl, each of which may have suitable substituent(s); R2 is lower alkyl, lower alkoxy(lower)alkyl, cycloalkyl, ar(lower)alkyl which may have suitable substituent(s), heterocyclic group or heterocyclic(lower)alkyl, R3 is aryl which may have suitable substituent(s) or heterocyclic group which may have suitable substituent(s), and n is 0 or 1, and a pharmaceutically acceptable salt thereof which are useful as a medicament in the treatment of hypercholesterolemia, hyperlipidemia and atherosclerosis.(FR) Cette invention se rapporte à des dérivés d'urée, représentés parr la formule (I), où R1 représente un groupe de la formule (1) (dans laquelle R4 représente aryle qui peut comporter un ou des substitutants appropriés, ou un groupe hétérocyclique qui peut comporter un ou des substituants appropriés; et Y représente une liaison, alkylène inférieur, -S-, -O-, (a), =CH-, -CONH-, (b) (où R7 représente alkyle inférieur), -NHSO2-, -SO2NH-, -SO2NHCO- ou -CONHSO2-); ou alors R1 représente thiazolyle, imidazolyle, pyrazolyle, pyridyle, thiényle, furyle, isoxazolyle ou chromanyle, chacun de ces éléments pouvant comporter un ou des substituants appropriés; R2 représente alkyle inférieur, alcoxy inférieur alkyle(inférieur), cycloalkyle, aralkyle(inférieur) pouvant comporter un ou des substituants appropriés, un groupe hétérocyclique ou alkyle(inférieur) hétérocyclique; R3 représente aryle pouvant comporter un ou des substituants appropriés ou un groupe hétérocyclique pouvant comporter un ou des substituants appropriés; et n est égal à 0 ou à 1; ainsi qu'à un sel pharmaceutiquement acceptacle de ces composés, qui peuvent être utilisés comme médicament dans le traitement de l'hypercholestérolémie, de l'hyperlipidémie et de l'athérosclérose.
• Trisubstituted ureas as potent and selective mPGES-1 inhibitors
  作者：Jean-François Chiasson、Louise Boulet、Christine Brideau、Anh Chau、David Claveau、Bernard Côté、Diane Ethier、André Giroux、Jocelyne Guay、Sébastien Guiral、Joseph Mancini、Frédéric Massé、Nathalie Méthot、Denis Riendeau、Patrick Roy、Joel Rubin、Daigen Xu、Hongping Yu、Yves Ducharme、Richard W. Friesen

  DOI：10.1016/j.bmcl.2011.01.006

  日期：2011.3

  A novel series of trisubstituted ureas has been identified as potent and selective mPGES-1 inhibitors. These compounds are selective over other prostanoid enzymes such as PGF synthase and TX synthase. This series of inhibitors was developed by lead optimization of a hit from an internal HTS campaign. Lead compound 42 is potent in A549 cell assay (IC50 of 0.34 mu M) and in human whole blood assay (IC50 of 2.1 mu M). An efficient and versatile one-pot strategy for the formation of ureas, involving a reductive amination, was developed to generate these inhibitors. (C) 2011 Elsevier Ltd. All rights reserved.