ethyl α-butyl-3-[(4-chloro-2-hydroxybenzoyl)amino]-β-oxobenzenepropanoate

• 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: ethyl α-butyl-3-[(4-chloro-2-hydroxybenzoyl)amino]-β-oxobenzenepropanoate
• 英文别名: Ethyl alpha-butyl-3-[(4-chloro-2-hydroxybenzoyl)amino]-beta-oxobenzenepropanoate；ethyl 2-[3-[(4-chloro-2-hydroxybenzoyl)amino]benzoyl]hexanoate
• 化学式: C₂₂H₂₄ClNO₅
• 分子量: 417.889
• InChiKey: FMBSTKOXCMVDFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  29
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  92.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl α-butyl-3-[(4-chloro-2-hydroxybenzoyl)amino]-β-oxobenzenepropanoate 、 单水氢氧化锂 在 水 、 乙酸乙酯 、 magnesium sulfate 、 乙腈 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 48.0h， 以to give the title compound (16.0 mg, 60% yield) as a white solid的产率得到4-Chloro-2-hydroxy-N-{3-(1-oxohexyl)phenyl}benzamide
  参考文献：
  名称：

  HSV primase inhibitors

  摘要：

  本发明提供了一种具有以下式子1的化合物，该化合物对HSV引物酶具有活性：其中R1是羟基或氨基；R2是氢、卤素、(C1-4)烷基或(C1-4)氧烷基；R3是氢、卤素、(C1-4)烷基、(C1-4)氧烷基、氨基或偶氮基；R4具有与R2相同的意义；R5是氢或(C1-4)烷基；R是(C1-7)烷基、(C3-6)环烷基、苯基(C1-7)烷基、苯基(C1-7)氧烷基、(单环杂环)-(C1-7)氧烷基、CH(W)C(O)O-(C1-4)烷基，其中W是氢或(C1-7)烷基，或者其中Y是氢或(C1-7)烷基，Z是(C1-7)烷基、(C3-6)环烷基、(C3-6)环烷基-(C1-7)烷基、苯基(C1-7)烷基或(单环杂环)-(C1-7)烷基，或者Y和Z与它们连接的氮原子一起表示1-吡咯基、1-哌啶基、4-吗啉基或1-(4-甲基哌嗪基)；但是前提是（1）当R定义如本文所述为CH(W)C(O)O-(C1-4)烷基时，R5为氢；并且（2）R2、R3和R4中至少有一个不是氢。

  公开号：

  US06323202B1

文献信息

• HSV PRIMASE INHIBITORS
  申请人：BOEHRINGER INGELHEIM (CANADA) LTD.

  公开号：EP1165494A2

  公开（公告）日：2002-01-02
• US6323202B1
  申请人：——

  公开号：US6323202B1

  公开（公告）日：2001-11-27
• [EN] HSV PRIMASE INHIBITORS<br/>[FR] INHIBITEURS DE LA PRIMASE DU VIRUS HERPES SIMPLEX
  申请人：BOEHRINGER INGELHEIM CA LTD

  公开号：WO2000058270A2

  公开（公告）日：2000-10-05

  The invention provides compounds of formula (1) that are active against the HSV primase enzyme: wherein R1 is hydroxy or amino; R2 is hydrogen, halo, (C1-4)alkyl or (C1-4)alkoxy; R3 is hydrogen, halo, (C1-4)alkyl, (C1-4)alkoxy, amino or azido; R4 has the same significance as R2; R5 is hydrogen or (C1-4)alkyl; and R is (C1-7)alkyl, (C3-6)cycloalkyl, phenyl(C1-7)alkyl}, phenyl(C1-7)alkoxy}, (monocyclic heterocyclo)-(C1-7)alkoxy}}, CH(W)C(O)O-(C1-4)alkyl} wherein W is hydrogen or (C1-7)alkyl, or (a) wherein Y is hydrogen or (C1-7)alkyl, and Z is (C1-7)alkyl, (C3-6) cycloalkyl, (C3-6)cycloalkyl}-(C1-7)alkyl}, phenyl(C1-7)alkyl or (monocyclic heterocyclo)-(C1-7)alkyl}}, or Y and Z together with the nitrogen atom to which they are attached represent, 1-pyrrolidinyl, 1-piperidinyl, 4-morpholinyl or 1-(4-methylpiperazinyl); with the provisos that (1) when R is CH(W)C(O)-O-(C1-4)alkyl} as defined herein, then R5 is hydrogen; and (2) at least one of R2, R3 and R4 is other than hydrogen.
• HSV primase inhibitors
  申请人：Boehringer Ingelheim (Canada) Ltd.

  公开号：US06323202B1

  公开（公告）日：2001-11-27

  The invention provides compounds of the formula 1 that are active against the HSV primase enzyme: wherein R1 is hydroxy or amino; R2 is hydrogen, halo, (C1-4)alkyl or (C1-4)alkoxy; R3 is hydrogen, halo, (C1-4)alkyl, (C1-4)alkoxy, amino or azido; R4 has the same significance as R2; R5 is hydrogen or (C1-4)alkyl; and R is (C1-7)alkyl, (C3-6)cycloalkyl, {phenyl(C1-7)alkyl}, {phenyl(C1-7)alkoxy}, {{(monocyclic heterocyclo)-{(C1-7)alkoxy}}, CH(W)C(O){O-(C1-4)alkyl} wherein W is hydrogen or (C1-7)alkyl, or  wherein Y is hydrogen or (C1-7)alkyl, and Z is (C1-7)alkyl, (C3-6) cycloalkyl, {(C3-6)cycloalkyl}- {(C1-7)alkyl}, phenyl(C1-7)alkyl or {{(monocyclic heterocyclo)-{(C1-7)alkyl}}, or Y and Z together with the nitrogen atom to which they are attached represent, 1-pyrrolidinyl, 1-piperidinyl, 4-morpholinyl or 1-(4-methylpiperazinyl); with the provisos that (1) when R is CH(W)C(O)-{O-(C1-4)alkyl} as defined herein, then R5 is hydrogen; and (2) at least one of R2, R3 and R4 is other than hydrogen.

  本发明提供了一种具有以下式子1的化合物，该化合物对HSV引物酶具有活性：其中R1是羟基或氨基；R2是氢、卤素、(C1-4)烷基或(C1-4)氧烷基；R3是氢、卤素、(C1-4)烷基、(C1-4)氧烷基、氨基或偶氮基；R4具有与R2相同的意义；R5是氢或(C1-4)烷基；R是(C1-7)烷基、(C3-6)环烷基、苯基(C1-7)烷基、苯基(C1-7)氧烷基、(单环杂环)-(C1-7)氧烷基、CH(W)C(O)O-(C1-4)烷基，其中W是氢或(C1-7)烷基，或者其中Y是氢或(C1-7)烷基，Z是(C1-7)烷基、(C3-6)环烷基、(C3-6)环烷基-(C1-7)烷基、苯基(C1-7)烷基或(单环杂环)-(C1-7)烷基，或者Y和Z与它们连接的氮原子一起表示1-吡咯基、1-哌啶基、4-吗啉基或1-(4-甲基哌嗪基)；但是前提是（1）当R定义如本文所述为CH(W)C(O)O-(C1-4)烷基时，R5为氢；并且（2）R2、R3和R4中至少有一个不是氢。