3-(4-Benzyloxy-phenyl)-2,2-dimethyl-3-oxo-propionic acid ethyl ester | 656802-94-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(4-Benzyloxy-phenyl)-2,2-dimethyl-3-oxo-propionic acid ethyl ester
• 英文别名: ethyl 2,2-dimethyl-3-oxo-3-(4-phenylmethoxyphenyl)propanoate
• CAS: 656802-94-7
• 化学式: C₂₀H₂₂O₄
• 分子量: 326.392
• InChiKey: JLVSINAQQLVZKK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  24
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(4-Benzyloxy-phenyl)-2,2-dimethyl-3-oxo-propionic acid ethyl ester 在 palladium dihydroxide tris(dibenzylideneacetone)dipalladium (0) 、 氢气 、 双(三甲基硅烷基)氨基钾 、 caesium carbonate 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 、 肼 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成 3-(4-aminophenyl)-4,4-dimethyl-1H-pyrazol-5(4H)-one
  参考文献：
  名称：

  Benzyl vinylogous amide substituted aryldihydropyridazinones and aryldimethylpyrazolones as potent and selective PDE3B inhibitors

  摘要：

  Aryldihydropyridazinones and aryldimethylpyrazolones with 2-benzyl vinylogous amide substituents have been identified as potent PDE3B subtype selective inhibitors. Dihydropyridazinone 8a (PDE3B IC50 = 0.19 nM, 3A IC50 = 1.3 nM) was selected for in vivo evaluation of lipolysis induction, metabolic rate increase, and cardiovascular effects. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.08.056
• 作为产物：
  描述：

  4-苯甲氧基苯甲腈 在 盐酸 、 锌 作用下， 以 四氢呋喃 为溶剂， 生成 3-(4-Benzyloxy-phenyl)-2,2-dimethyl-3-oxo-propionic acid ethyl ester
  参考文献：
  名称：

  Benzyl vinylogous amide substituted aryldihydropyridazinones and aryldimethylpyrazolones as potent and selective PDE3B inhibitors

  摘要：

  Aryldihydropyridazinones and aryldimethylpyrazolones with 2-benzyl vinylogous amide substituents have been identified as potent PDE3B subtype selective inhibitors. Dihydropyridazinone 8a (PDE3B IC50 = 0.19 nM, 3A IC50 = 1.3 nM) was selected for in vivo evaluation of lipolysis induction, metabolic rate increase, and cardiovascular effects. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.08.056

文献信息

• Hydantoin derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme
  申请人：——

  公开号：US20040063698A1

  公开（公告）日：2004-04-01

  The present invention provides compounds of Formula (I): 1 or a stereoisomer or pharmaceutically acceptable salt form thereof, wherein the variables A, R 1 , R 2 , R 3 , R 4 , Z, U, X, Y, Z a , and n are defined are as defined herein, which are useful as inhibitors of matrix metalloproteinases (MMP) and/or TNF-&agr; converting enzyme (TACE), or a combination thereof.

  本发明提供了公式（I）的化合物：1或其立体异构体或药学上可接受的盐形式，其中变量A、R1、R2、R3、R4、Z、U、X、Y、Za和n的定义如本文所述，其作为基质金属蛋白酶（MMP）和/或TNF-α转化酶（TACE）的抑制剂或其组合物是有用的。
• Hydantoin derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme
  申请人：Bristol-Myers Squibb Company

  公开号：US07102008B2

  公开（公告）日：2006-09-05

  The present invention provides compounds of Formula (I): or a stereoisomer or pharmaceutically acceptable salt form thereof, wherein the variables A, R1, R2, R3, R4, Z, U, X, Y, Za, and n are defined are as defined herein, which are useful as inhibitors of matrix metalloproteinases (MMP) and/or TNF-α converting enzyme (TACE), or a combination thereof.

  本发明提供了化合物公式（I）的化合物：或其立体异构体或药学上可接受的盐形式，其中变量A、R1、R2、R3、R4、Z、U、X、Y、Za和n的定义如本文所述，它们可用作基质金属蛋白酶（MMP）和/或TNF-α转化酶（TACE）的抑制剂，或其组合。
• US7102008B2
  申请人：——

  公开号：US7102008B2

  公开（公告）日：2006-09-05
• [EN] HYDANTOIN DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-ALPHA CONVERTING ENZYME<br/>[FR] DERIVES D'YHYDANTOINE UTILISES COMME INHIBITEURS DE METALLOPROTEASES MATICIELLES ET/OU D'ENZYME DE CONVERSION DE TNF-ALPHA
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2004012663A2

  公开（公告）日：2004-02-12

  The present invention provides compounds of Formula (I): CHEMICAL STRUCTURE] or a stereoisomer or pharmaceutically acceptable salt form thereof, wherein the variables A, R1, R2, R3, R4, Z, U, X, Y, Za, and n are defined are as defined herein, which are useful as inhibitors of matrix metalloproteinases (MMP) and/or TNF-a converting enzyme (TACE), or a combination thereof.
• Benzyl vinylogous amide substituted aryldihydropyridazinones and aryldimethylpyrazolones as potent and selective PDE3B inhibitors
  作者：Scott D. Edmondson、Anthony Mastracchio、Jiafang He、Christine C. Chung、Michael J. Forrest、Scott Hofsess、Euan MacIntyre、Joseph Metzger、Naphtali O'Connor、Kajal Patel、Xinchun Tong、Michael R. Tota、Lex H.T. Van der Ploeg、Jeff P. Varnerin、Michael H. Fisher、Matthew J. Wyvratt、Ann E. Weber、Emma R. Parmee

  DOI：10.1016/j.bmcl.2003.08.056

  日期：2003.11

  Aryldihydropyridazinones and aryldimethylpyrazolones with 2-benzyl vinylogous amide substituents have been identified as potent PDE3B subtype selective inhibitors. Dihydropyridazinone 8a (PDE3B IC50 = 0.19 nM, 3A IC50 = 1.3 nM) was selected for in vivo evaluation of lipolysis induction, metabolic rate increase, and cardiovascular effects. (C) 2003 Elsevier Ltd. All rights reserved.