4-tert-butyl-N-[(2-chloro-5-methyl-phenyl)-carbamothioyl]benzamide | 1332219-97-2

• 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: 4-tert-butyl-N-[(2-chloro-5-methyl-phenyl)-carbamothioyl]benzamide
• 英文别名: 4-tert-butyl-N-[(2-chloro-5-methyl-phenyl)carbamothioyl]benzamide；4-tert-butyl-N-[(2-chloro-5-methylphenyl)carbamothioyl]benzamide
• CAS: 1332219-97-2
• 化学式: C₁₉H₂₁ClN₂OS
• 分子量: 360.908
• InChiKey: BUJXVJJYRYUALC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  73.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-tert-butyl-N-[(2-chloro-5-methyl-phenyl)-carbamothioyl]benzamide 、 碘乙烷 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以36%的产率得到(NZ)-4-tert-butyl-N-[(2-chloro-5-methyl-anilino)-ethylsulfanyl-methylene]benzamide
  参考文献：
  名称：

  [EN] INHIBITORS AND METHODS OF INHIBITING BACTERIAL AND VIRAL PATHOGENS
  [FR] INHIBITEURS ET PROCÉDÉS D'INHIBITION DE PATHOGÈNES BACTÉRIENS ET VIRAUX

  摘要：

  本发明涉及化合物、药物组合物和治疗病毒和细菌感染的方法，通过给予一定量的硫脲化合物，特别是酰基硫脲、羧酰亚硫脲和S-烷基异硫脲衍生物和类似物，以治疗有效量的方法。

  公开号：

  WO2011103375A1
• 作为产物：
  描述：

  对叔丁基苯甲酰氯 以 丙酮 为溶剂， 反应 4.0h， 生成 4-tert-butyl-N-[(2-chloro-5-methyl-phenyl)-carbamothioyl]benzamide
  参考文献：
  名称：

  [EN] INHIBITORS AND METHODS OF INHIBITING BACTERIAL AND VIRAL PATHOGENS
  [FR] INHIBITEURS ET PROCÉDÉS D'INHIBITION DE PATHOGÈNES BACTÉRIENS ET VIRAUX

  摘要：

  本发明涉及化合物、药物组合物和治疗病毒和细菌感染的方法，通过给予一定量的硫脲化合物，特别是酰基硫脲、羧酰亚硫脲和S-烷基异硫脲衍生物和类似物，以治疗有效量的方法。

  公开号：

  WO2011103375A1

文献信息

• Inhibitors and Methods of Inhibiting Bacterial and Viral Pathogens
  申请人：Allen Robert D.

  公开号：US20130195796A1

  公开（公告）日：2013-08-01

  Compounds, pharmaceutical compositions and methods for treating viral and bacterial infections, by administering certain thiourea compounds, specifically acylthiourea, carboximidoylthiourea and S-alkyl isothiourea derivatives and analogs, in therapeutically effective amounts are disclosed.

  本发明涉及一种使用某些硫脲化合物（具体为酰硫脲、羧基亚硫脲和S-烷基异硫脲衍生物和类似物）以治疗病毒和细菌感染的药物组合物和方法，通过以治疗有效剂量进行给药。
• INHIBITORS AND METHODS OF INHIBITING BACTERIAL AND VIRAL PATHOGENS
  申请人：SIGA TECHNOLOGIES, INC.

  公开号：US20160081950A1

  公开（公告）日：2016-03-24

  Compounds, pharmaceutical compositions and methods for treating viral and bacterial infections, by administering certain thiourea compounds, specifically acylthiourea, carboximidoylthiourea and S-alkyl isothiourea derivatives and analogs, in therapeutically effective amounts are disclosed.

  本发明涉及一种治疗病毒和细菌感染的化合物、药物组合物和方法，通过给予一些硫脲化合物，特别是酰基硫脲、羧酸亚胺基硫脲和S-烷基异硫脲衍生物和类似物，在治疗有效的剂量下进行治疗。
• Inhibitors and methods of inhibiting bacterial and viral pathogens
  申请人：Siga Technologies, Inc.

  公开号：EP2865668A2

  公开（公告）日：2015-04-29

  Compounds, pharmaceutical compositions and methods for treating viral and bacterial infections, by administering certain thiourea compounds, specifically acylthiourea, carboximidoylthiourea and S-alkyl isothiourea derivatives and analogs, in therapeutically effective amounts are disclosed.

  本发明公开了治疗病毒和细菌感染的化合物、药物组合物和方法，通过施用某些硫脲化合物，特别是酰基硫脲、羧酰亚胺基硫脲和 S-烷基异硫脲衍生物及类似物，达到治疗有效量。
• SAR analysis of a series of acylthiourea derivatives possessing broad-spectrum antiviral activity
  作者：James R. Burgeson、Amy L. Moore、Jordan K. Boutilier、Natasha R. Cerruti、Dima N. Gharaibeh、Candace E. Lovejoy、Sean M. Amberg、Dennis E. Hruby、Shanthakumar R. Tyavanagimatt、Robert D. Allen、Dongcheng Dai

  DOI：10.1016/j.bmcl.2012.05.035

  日期：2012.7

  A series of acylthiourea derivatives were designed, synthesized, and evaluated for broad-spectrum antiviral activity with selected viruses from Poxviridae (vaccinia virus) and two different genera of the family Bunyaviridae (Rift Valley fever and La Crosse viruses). A compound selected from a library screen, compound 1, displayed submicromolar antiviral activity against both vaccinia virus (EC50 = 0.25 mu M) and La Crosse virus (EC50 = 0.27 mu M) in cytopathic effect (CPE) assays. SAR analysis was performed to further improve antiviral potency and to optimize drug-like properties of the initial hits. During our analysis, we identified 26, which was found to be nearly fourfold more potent than 1 against both vaccinia and La Crosse viruses. Selected compounds were further tested to more fully characterize the spectrum of antiviral activity. Many of these possessed single digit micromolar and sub-micromolar antiviral activity against a diverse array of targets, including influenza virus (Orthomyxoviridae), Tacaribe virus (Arenaviridae), and dengue virus (Flaviviridae). (C) 2012 Elsevier Ltd. All rights
• SUBSTITUTED SPIROINDOLINONES
  申请人：F.Hoffmann-La Roche AG

  公开号：EP2536731A1

  公开（公告）日：2012-12-26