4-chloro-5-ethoxy-2-(3-methylphenyl)pyridazin-3(2H)-one | 1035451-05-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4-chloro-5-ethoxy-2-(3-methylphenyl)pyridazin-3(2H)-one
• 英文别名: Pyridazinone, 2-39；4-chloro-5-ethoxy-2-(3-methylphenyl)pyridazin-3-one
• CAS: 1035451-05-8
• 化学式: C₁₃H₁₃ClN₂O₂
• 分子量: 264.711
• InChiKey: YMHQPVCIINSBRM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  41.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-chloro-5-ethoxy-2-(3-methylphenyl)pyridazin-3(2H)-one 在 sodium hydrogen sulfide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 C₁₃H₁₄N₂O₂S
  参考文献：
  名称：

  Discovery and structure–activity relationship analysis of Staphylococcus aureus sortase A inhibitors

  摘要：

  Methicillin resistant Staphylococcus aureus (MRSA) is a major health problem that has created a pressing need for new antibiotics. Compounds that inhibit the S. aureus SrtA sortase may function as potent anti-infective agents as this enzyme attaches virulence factors to the cell wall. Using high-throughput screening, we have identified several compounds that inhibit the enzymatic activity of the SrtA. A structure-activity relationship (SAR) analysis led to the identification of several pyridazinone and pyrazolethione analogs that inhibit SrtA with IC50 values in the sub-micromolar range. Many of these molecules also inhibit the sortase enzyme from Bacillus anthracis suggesting that they may be generalized sortase inhibitors. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.08.067
• 作为产物：
  描述：

  乙醇 、 4,5-二氯-2-(3-甲苯基)哒嗪-3-酮 反应 10.0h， 以75%的产率得到4-chloro-5-ethoxy-2-(3-methylphenyl)pyridazin-3(2H)-one
  参考文献：
  名称：

  WO2008/80056

  摘要：

  公开号：

文献信息

• PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS
  申请人：Djaballah Hakim

  公开号：US20100210649A1

  公开（公告）日：2010-08-19

  The present invention is directed to pyridazinone compounds of formula (I) and furan compounds of formula (II), pharmaceutical compositions of compounds of formula (I) and (II), kits containing these compounds, methods of syntheses, and a method of treatment of a proliferative disease in a subject by administration of a therapeutically effective amount of a compound of formulae (I) or (II). Both classes of compounds were identified through screening of a collection of small molecule libraries.

  本发明涉及式(I)的吡啶二酮化合物和式(II)的呋喃化合物，以及式(I)和(II)化合物的制药组合物、包含这些化合物的试剂盒、合成方法，以及通过给予式(I)或(II)化合物的治疗有效量来治疗受体内增生性疾病的方法。这两类化合物是通过筛选小分子库的集合而确定的。
• Pyridazinones and furan-containing compounds
  申请人：Sloan-Kettering Institute For Cancer Research

  公开号：EP2518063A1

  公开（公告）日：2012-10-31

  The present invention is directed to pyridazinone compounds of formula (I) and furan compounds of formula (II), pharmaceutical compositions of compounds of formula (I) and (II), kits containing these compounds, methods of syntheses, and a method of treatment of a proliferative disease in a subject by administration of a therapeutically effective amount of a compound of formulae (I) or (II). Both classes of compounds were identified through screening of a collection of small molecule libraries.

  本发明涉及式(I)哒嗪酮化合物和式(II)呋喃化合物、式(I)和(II)化合物的药物组合物、含有这些化合物的试剂盒、合成方法以及通过施用治疗有效量的式(I)或(II)化合物治疗受试者增殖性疾病的方法。这两类化合物都是通过筛选一系列小分子化合物库确定的。
• WO2008/80056
  申请人：——

  公开号：——

  公开（公告）日：——
• US9562019B2
  申请人：——

  公开号：US9562019B2

  公开（公告）日：2017-02-07
• [EN] PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS<br/>[FR] PYRIDAZINONES ET COMPOSÉS FURANNIQUES
  申请人：SLOAN KETTERING INST CANCER

  公开号：WO2008080056A2

  公开（公告）日：2008-07-03

  [EN] The present invention is directed to pyridazinone compounds of formula (I) and furan compounds of formula (II), pharmaceutical compositions of compounds of formula (I) and (II), kits containing these compounds, methods of syntheses, and a method of treatment of a proliferative disease in a subject by administration of a therapeutically effective amount of a compound of formulae (I) or (II). Both classes of compounds were identified through screening of a collection of small molecule libraries.
  [FR] Cette invention se rapporte à des composés pyridazinone de formule (I) et à des composés furanniques de formule (II), à des compositions pharmaceutiques de composés de formule (I) et de formule (II), à des kits contenant ces composés, à des procédés de synthèse et à un procédé de traitement d'une maladie proliférative chez un sujet par administration d'une quantité thérapeutiquement efficace d'un composé de formule (I) ou de formule (II). Les deux classes de composés ont été identifiées par criblage d'un ensemble de bibliothèques de petites molécules.