(4E)-5-methyl-2-phenyl-4-[(2,4,6-tribromoanilino)methylidene]pyrazole-3-thione

• 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: (4E)-5-methyl-2-phenyl-4-[(2,4,6-tribromoanilino)methylidene]pyrazole-3-thione
• 化学式: C₁₇H₁₂Br₃N₃S
• 分子量: 530.1
• InChiKey: SORNSTKZKQJTIW-UKTHLTGXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  59.7
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• SORTASE A INHIBITORS
  申请人：Jung Michael E.

  公开号：US20120149710A1

  公开（公告）日：2012-06-14

  Bacterial infections, including Methicillin resistant Staphylococcus aureus (MRSA) infections are a major health problem that has created a pressing need for new antibiotics. Pyridazinone, rhodanine, and pyrazolethione compounds effective inhibit the enzymatic activity of sortase A (srtA) found in gram positive bacteria are disclosed. A structure activity relationship (SAR) analysis led to the identification of several pyridazinone and pyrazolethione analogs that inhibit SrtA with IC 50 values in the sub-micromolar range. 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. Many of these molecules also inhibit the sortase enzyme from B. anthracis suggesting that they may be generalized sortase inhibitors. The novel compounds, compositions, uses, formulations, medicaments, articles of manufacture provide improved materials, uses, and treatments useful in combating infectious disorders.

  细菌感染，包括甲氧西林耐药金黄色葡萄球菌（MRSA）感染，是一个重大的健康问题，已经创造了对新抗生素的迫切需求。本文披露了吡啶并咪唑酮、罗丹宁和吡唑硫酮化合物，这些化合物有效抑制了革兰氏阳性细菌中的srtA酶活性。结构活性关系（SAR）分析导致了多个吡啶并咪唑酮和吡唑硫酮类似物的鉴定，这些类似物以亚微摩尔范围内的IC50值抑制SrtA。抑制S. aureus SrtA酶的化合物可能作为强效抗感染剂，因为该酶将毒力因子附着在细胞壁上。其中许多分子也抑制了B. anthracis的sortase酶，表明它们可能是广谱的sortase抑制剂。这些新型化合物、组合物、用途、配方、药品和制造品提供了改进的材料、用途和治疗，对于抗击传染性疾病非常有用。
• Methods and compounds to inhibit enveloped virus release
  申请人：Northwestern University

  公开号：US10300080B2

  公开（公告）日：2019-05-28

  A compound having an antiviral activity for inhibiting release of an enveloped virus from a cell is disclosed, including methods of inhibiting release of an enveloped virus from a cell. The antiviral activity of the compound includes inhibiting formation of an associative complex or disrupting formation of an associative complex. The associative complex comprises an L-domain motif of the enveloped virus and at least one cellular polypeptide, or fragment thereof, capable of binding the L-domain motif of the enveloped virus.

  本发明公开了一种具有抗病毒活性的化合物，用于抑制包膜病毒从细胞中释放，包括抑制包膜病毒从细胞中释放的方法。该化合物的抗病毒活性包括抑制缔合复合物的形成或破坏缔合复合物的形成。关联复合物包括包膜病毒的 L-结构域基团和至少一种能够结合包膜病毒 L-结构域基团的细胞多肽或其片段。
• METHODS AND COMPOUNDS TO INHIBIT ENVELOPED VIRUS RELEASE
  申请人：The Research Foundation for The State University of New York

  公开号：US20140179637A1

  公开（公告）日：2014-06-26

  A compound having an antiviral activity for inhibiting release of an enveloped virus from a cell is disclosed, including methods of inhibiting release of an enveloped virus from a cell. The antiviral activity of the compound includes inhibiting formation of an associative complex or disrupting formation of an associative complex. The associative complex comprises an L-domain motif of the enveloped virus and at least one cellular polypeptide, or fragment thereof, capable of binding the L-domain motif of the enveloped virus.
• Methods and Compounds to Inhibit Enveloped Virus Release
  申请人：Northwestern University

  公开号：US20190209589A1

  公开（公告）日：2019-07-11

  A compound having an antiviral activity for inhibiting release of an enveloped virus from a cell is disclosed, including methods of inhibiting release of an enveloped virus from a cell. The antiviral activity of the compound includes inhibiting formation of an associative complex or disrupting formation of an associative complex. The associative complex comprises an L-domain motif of the enveloped virus and at least one cellular polypeptide, or fragment thereof, capable of binding the L-domain motif of the enveloped virus.
• [EN] SORTASE A INHIBITORS<br/>[FR] INHIBITEURS DE LA SORTASE A
  申请人：UNIV CALIFORNIA

  公开号：WO2011028492A2

  公开（公告）日：2011-03-10

  Bacterial infections, including Methicillin resistant Staphylococcus aureus (MRSA) infections are a major health problem that has created a pressing need for new antibiotics. Pyridazinone, rhodanine, and pyrazolethione compounds effective inhibit the enzymatic activity of sortase A (srtA) found in gram positive bacteria are disclosed. 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. 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. Many of these molecules also inhibit the sortase enzyme from B. anthracis suggesting that they may be generalized sortase inhibitors. The novel compounds, compositions, uses, formulations, medicaments, articles of manufacture provide improved materials, uses, and treatments useful in combating infectious disorders.