N-羟基-2-甲氧基-5-硝基苯甲酰胺 | 920739-91-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-羟基-2-甲氧基-5-硝基苯甲酰胺
• 英文名称: N-hydroxy-2-methoxy-5-nitrobenzamide
• CAS: 920739-91-9
• 化学式: C₈H₈N₂O₅
• 分子量: 212.162
• InChiKey: IRIGXNYUNPDFAF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  104
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-羟基-2-甲氧基-5-硝基苯甲酰胺 在 钯 sodium hydroxide 、 甲醇 、 甲基叔丁基醚 、 盐酸 、 水 作用下， 以 IMS 为溶剂， 反应 17.5h， 以to give 5.33 g of the title compound (62%) as a light brown solid的产率得到5-amino-N-hydroxy-2-methoxybenzamide
  参考文献：
  名称：

  Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field

  摘要：

  因此，本发明特别涉及通式（I）的化合物，其中R1和R2可以相同也可以不同，选自包括H、—CnH2n-1、具有1至6个碳原子的线性或支链烷基或共同形成具有5或6个原子的芳香或脂肪环；R3选自—CO—CH3、—NHOH、—OH、—OR6，其中R6是具有1至6个碳原子的线性或支链烷基；R4选自H、具有1至6个碳原子的线性或支链烷基、苯基、苄基、—CF3或—CF2CF3、乙烯基或丙烯基；R5、R7、R8为氢原子；或R3和R4、R4和R5、或R7和R8共同形成一个环，融合到苯、芳香或脂肪环上，包括1至2个独立选择自N、O的杂原子；以及在医药领域中的使用。

  公开号：

  US20090118357A1
• 作为产物：
  描述：

  2-甲氧基-5-硝基苯甲酸 在 盐酸羟胺 、 N,N'-羰基二咪唑 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 以70%的产率得到N-羟基-2-甲氧基-5-硝基苯甲酰胺
  参考文献：
  名称：

  Benzohydroxamic acids as potent and selective anti-HCV agents

  摘要：

  A diverse collection of 40 derivatives of benzohydroxamic acid (BHAs) of various structural groups were synthesized and tested against hepatitis C virus (HCV) in full-genome replicon assay. Some of these compounds demonstrated an exceptional activity, suppressing viral replication at sub-micromolar concentrations. The compounds were inactive against key viral enzymes NS3, and NS5B in vitro assays, suggesting host cell inhibition target(s). The testing results were consistent with metal coordination by the BHAs hydroxamic group in complex with a target(s). Remarkably, this class of compounds did not suppress poliomyelitis virus (PV) propagation in RD cells indicating a specific antiviral activity of BHAs against HCV. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.08.081

文献信息

• Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field
  申请人：Naccari Giancarlo

  公开号：US20090118357A1

  公开（公告）日：2009-05-07

  Therefore the present invention relates specifically to the compounds of general formula (I), in which R 1 and R 2 , which may be identical or different, are selected from the group comprising H, —C n H 2n-1 , a linear or branched alkyl group having from 1 to 6 carbon atoms, or together form an aromatic or aliphatic ring with 5 or 6 atoms; R 3 is selected from —CO—CH 3 , —NHOH, —OH, —OR 6 in which R 6 is a linear or branched alkyl group having from 1 to 6 carbon atoms; R 4 is selected from H, a linear or branched alkyl group having from 1 to 6 carbon atoms, phenyl, benzyl, —CF 3 or —CF 2 CF 3 , vinyl or allyl; R 5 , R 7 , R 8 are hydrogen atoms; or R 3 and R 4 , R 4 and R 5 , or R 7 and R 8 together form a ring, fused to the benzene, aromatic or aliphatic ring with 5 or 6 atoms comprising from 1 to 2 heteroatoms selected independently from the group comprising N, O, and use thereof in the medical field.

  因此，本发明特别涉及具有通用公式（I）的化合物，其中R1和R2，可以相同或不同，选自包括H，—CnH2n-1，具有1到6个碳原子的直链或支链烷基，或者共同形成一个含有5或6个原子的芳香族或脂肪族环；R3选自—CO—CH3，—NHOH，—OH，—OR6，其中R6是一个具有1到6个碳原子的直链或支链烷基；R4选自H，具有1到6个碳原子的直链或支链烷基，苯基，苄基，—CF3或—CF2CF3，乙烯基或烯丙基；R5，R7，R8是氢原子；或者R3和R4，R4和R5，或R7和R8共同形成一个环，与苯环，芳香族或脂肪族环融合，含有5或6个原子，并包括1到2个独立选自N，O的杂原子，及其在医疗领域的应用。
• Compounds and their Salts Specific to the PPAR Receptors and the EGF Receptors and their Use in the Medical Field
  申请人：Naccari Giancarlo

  公开号：US20120316230A1

  公开（公告）日：2012-12-13

  The present invention relates to compounds of formula (I), where R 1 and R 2 , which may be identical or different, are selected from the group comprising H, C n H 2n-1 , a linear or branched alkyl group having 1 to 6 carbons, or together form an aromatic or aliphatic ring with 5 or 6 atoms; R 3 is —CO—CH 3 , —NHOH, —OH, or —OR 6 where R 6 is a linear or branched alkyl group having 1 to 6 carbon atoms; R4 is H, linear or branched alkyl group having from 1 to 6 atoms, phenyl, benzyl, —CF 3 or CF 2 CF 3 , vinyl or allyl; R 5 , R 7 , R 8 are hydrogen atoms; or R 3 and R 4 , R 4 and R 5 , or R 7 and R 8 together form a ring, fused to the benzene, aromatic or aliphatic ring with 5 or 6 atoms comprising from 1 to 2 heteroatoms selected independently from the group comprising N, O, and use thereof in the medical field.

  本发明涉及式（I）的化合物，其中R1和R2，可以相同也可以不同，选择自H，CnH2n-1，具有1至6个碳的线性或支链烷基团，或者共同形成一个具有5或6个原子的芳香或脂肪环；R3为—CO—CH3，—NHOH，—OH或—OR6，其中R6为具有1至6个碳的线性或支链烷基团；R4为H，具有1至6个原子的线性或支链烷基团，苯基，苄基，—CF3或CF2CF3，乙烯基或丙烯基；R5，R7，R8为氢原子；或者R3和R4，R4和R5，或R7和R8共同形成一个环，与苯环，芳香或脂肪环共同构成一个具有1至2个杂原子的环，独立选择自N，O的群组；以及在医药领域中的应用。
• Compounds and their salts specific to the PPAR receptors and the EGF Receptors and their use in the medical field
  申请人：Naccari Giancarlo

  公开号：US08450506B2

  公开（公告）日：2013-05-28

  The present invention relates to compounds of formula (I), where R1 and R2, which may be identical or different, are selected from the group comprising H, CnH2n-1, a linear or branched alkyl group having 1 to 6 carbons, or together form an aromatic or aliphatic ring with 5 or 6 atoms; R3 is —CO—CH3, —NHOH, —OH, or —OR6 where R6 is a linear or branched alkyl group having 1 to 6 carbon atoms; R4 is H, linear or branched alkyl group having from 1 to 6 atoms, phenyl, benzyl, —CF3 or CF2CF3, vinyl or allyl; R5, R7, R8 are hydrogen atoms; or R3 and R4, R4 and R5, or R7 and R8 together form a ring, fused to the benzene, aromatic or aliphatic ring with 5 or 6 atoms comprising from 1 to 2 heteroatoms selected independently from the group comprising N, O, and use thereof in the medical field.

  本发明涉及化合物的公式（I），其中R1和R2可以相同也可以不同，选自包括H、CnH2n-1、具有1到6个碳原子的线性或支链烷基或共同形成具有5或6个原子的芳香或脂肪环；R3是-CO-CH3、-NHOH、-OH或-OR6，其中R6是具有1到6个碳原子的线性或支链烷基；R4是H、具有1到6个原子的线性或支链烷基、苯基、苄基、-CF3或CF2CF3、乙烯基或丙烯基；R5、R7、R8是氢原子；或R3和R4、R4和R5或R7和R8共同形成一个环，与苯、芳香或脂肪环共同构成具有1到2个杂原子（独立选自包括N、O的群）的环，并在医学领域中使用。
• US8138357B2
  申请人：——

  公开号：US8138357B2

  公开（公告）日：2012-03-20
• US8450506B2
  申请人：——

  公开号：US8450506B2

  公开（公告）日：2013-05-28