m-acetyl-isobutyranilide | 80945-16-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: m-acetyl-isobutyranilide
• 英文别名: N-(3-acetylphenyl)-2-methylpropanamide
• CAS: 80945-16-0
• 化学式: C₁₂H₁₅NO₂
• mdl: MFCD02090927
• 分子量: 205.257
• InChiKey: ZXVURGVWNYKVNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  46.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  m-acetyl-isobutyranilide 在 硫酸 、 硝酸 作用下， 生成 3'-acetyl-4'-nitro-isobutyranilide
  参考文献：
  名称：

  Process for nitrating anilides

  摘要：

  这项发明描述了一种新颖的过程，通过该过程，对氨基苯酰胺进行硝化，产率高，硝基取代体位于对位。

  公开号：

  US04302599A1
• 作为产物：
  描述：

  间氨基苯乙酮 、 异丁酰氯 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 m-acetyl-isobutyranilide
  参考文献：
  名称：

  Structure-based modification of 3-/4-aminoacetophenones giving a profound change of activity on tyrosinase: From potent activators to highly efficient inhibitors

  摘要：

  In this study, we developed 3-/4-aminoacetophenones and their structure-based 3-/4-aminophenylethylidenethiosemicarbazide derivatives, respectively, as novel tyrosinase activators and inhibitors. Notably, all the obtained thiosemicarbazones displayed more potent tyrosinase inhibitory activities than kojic acid. Especially, compound 7k was found to be the most active tyrosinase inhibitor with IC50 value of 0.291 mu M. The structure-activity relationships (SARs) analysis showed that: (1) the amine group was absolutely necessarily for determining the tyrosinase activation activity; (2) the introduction of thiosemicarbazide group played a very vital role in transforming tyrosinase activators into tyrosinase inhibitors; (3) the phenylethylenethiosemicarbazide moiety was crucial for determining the tyrosinase inhibitory activity; (4) the type of acyl group had no obvious effect on the inhibitory activity; (5) the position of amide substituent on the phenyl ring influenced the tyrosinase inhibitory potency. Moreover, the inhibition mechanism and inhibition kinetics study revealed that compound 7k was reversible and non-competitive inhibitor, and compound 8h was reversible and competitive-uncompetitive mixed-II type inhibitor. (C) 2015 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2015.02.013

文献信息

• Meropenem Derivatives and Uses Thereof
  申请人：KALA PHARMACEUTICALS, INC.

  公开号：US20160039823A1

  公开（公告）日：2016-02-11

  The present invention provides novel derivative of β-lactam antibiotics, such as meropenem. The inventive compounds include compounds of Formula (I), and pharmaceutically acceptable salts, solvates, hydrates, polymorphs, co-crystals, tautomers, stereoisomers, isotopically labeled derivatives, and prodrugs thereof. Also provided are particles (e.g., nanoparticles) and pharmaceutical compositions thereof that are mucus penetrating. The inventive particles and pharmaceutical compositions may be useful in delivering an inventive compound to the respiratory tract of a subject. The invention further provides methods of using and kits including the inventive compounds, particles thereof, and/or pharmaceutical compositions thereof for treating and/or preventing a pulmonary disease (e.g., a respiratory tract infection).

  本发明提供了新型的β-内酰胺类抗生素衍生物，例如美罗培南。该发明化合物包括公式（I）的化合物，以及其药学上可接受的盐、溶剂化物、水合物、多晶型、共晶体、互变异构体、立体异构体、同位素标记衍生物和前药。还提供了粒子（例如纳米粒子）和药物组合物，其具有黏液穿透性。这些发明的粒子和药物组合物可用于将发明化合物输送到受试者的呼吸道。本发明还提供了使用发明化合物、其粒子和/或药物组合物治疗和/或预防肺部疾病（例如呼吸道感染）的方法和包含发明化合物、其粒子和/或药物组合物的工具包。
• METHOD OF INDUCING NEGATIVE CHEMOTAXIS
  申请人：Goodhew Erica Brook

  公开号：US20100093747A1

  公开（公告）日：2010-04-15

  The current invention is directed to methods of inducing the negative chemotaxis of a migratory cell comprising contacting the cell with a compound having the Formula (I), (II), (III) or (IV).
• MEROPENEM DERIVATIVES AND USES THEREOF
  申请人：Kala Pharmaceuticals, Inc.

  公开号：US20170349590A1

  公开（公告）日：2017-12-07

  The present invention provides novel derivative of β-lactam antibiotics, such as meropenem. The inventive compounds include compounds of Formula (I), and pharmaceutically acceptable salts, solvates, hydrates, polymorphs, co-crystals, tautomers, stereoisomers, isotopically labeled derivatives, and prodrugs thereof. Also provided are particles (e.g., nanoparticles) and pharmaceutical compositions thereof that are mucus penetrating. The inventive particles and pharmaceutical compositions may be useful in delivering an inventive compound to the respiratory tract of a subject. The invention further provides methods of using and kits including the inventive compounds, particles thereof, and/or pharmaceutical compositions thereof for treating and/or preventing a pulmonary disease (e.g., a respiratory tract infection).
• US4302599A
  申请人：——

  公开号：US4302599A

  公开（公告）日：1981-11-24
• US7342016B2
  申请人：——

  公开号：US7342016B2

  公开（公告）日：2008-03-11