2-氯-N-(3,4-二羟基苯基)-乙酰胺 | 53527-18-7

• 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: 2-氯-N-(3,4-二羟基苯基)-乙酰胺
• 英文名称: 3,4-Dihydroxy-chloracetanilid
• 英文别名: chloro-acetic acid-(3,4-dihydroxy-anilide)；Chlor-essigsaeure-(3,4-dihydroxy-anilid)；4-Chloracetamino-1.2-dioxy-benzol；4-Chloracetamino-brenzcatechin；Acetamide,2-chloro-N-(3,4-dihydroxyphenyl)-；2-chloro-N-(3,4-dihydroxyphenyl)acetamide
• CAS: 53527-18-7
• 化学式: C₈H₈ClNO₃
• 分子量: 201.609
• InChiKey: PIOHVOSEHNVCCO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 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：
  69.6
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-氯-N-(3,4-二羟基苯基)-乙酰胺 、 苯胺 在 sodium acetate 作用下， 以 乙醇 为溶剂， 生成 2-anilino-N-(3,4-dihydroxyphenyl)acetamide
  参考文献：
  名称：

  Catechols and 3-hydroxypyridones as inhibitors of the DNA repair complex ERCC1-XPF

  摘要：

  Catechol-based inhibitors of ERCC1-XPF endonuclease activity were identified from a high-throughput screen. Exploration of the structure-activity relationships within this series yielded compound 13, which displayed an ERCC1-XPF IC50 of 0.6 mu M, high selectivity against FEN-1 and DNase I and activity in nucleotide excision repair, cisplatin enhancement and gamma H2AX assays in A375 melanoma cells. Screening of fragments as potential alternatives to the catechol group revealed that 3-hydroxypyridones are able to inhibit ERCC1-XPF with high ligand efficiency, and elaboration of the hit gave compounds 36 and 37 which showed promising ERCC1-XPF IC50 values of <10 mu M. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.08.031
• 作为产物：
  描述：

  4-氨基-1,2-苯二醇 、 氯乙酰氯 生成 2-氯-N-(3,4-二羟基苯基)-乙酰胺
  参考文献：
  名称：

  Jacobs; Heidelberger; Rolf, Journal of the American Chemical Society, 1919, vol. 41, p. 460

  摘要：

  DOI：

文献信息

• [EN] QUINAZOLINONE ANALOGS AND USE OF QUINAZOLINONE ANALOGS FOR TREATING OR PREVENTING CERTAIN VIRAL INFECTIONS<br/>[FR] ANALOGUES DE QUINAZOLINONE ET UTILISATION D'ANALOGUES DE QUINAZOLINONE POUR LE TRAITEMENT OU LA PRÉVENTION DE CERTAINES INFECTIONS VIRALES
  申请人：SOUTHERN RES INST

  公开号：WO2013025508A1

  公开（公告）日：2013-02-21

  Provided is a process for treating or preventing a viral infection in a subject, wherein the viral infection is from a flavivirus selected from the group consisting of Hepatitis C Virus (genotypes 1-7) and Japanese Encephalitis Virus. The process includes administering to the subject a therapeutically effective amount of at least one compound represented by the formula:(Formula (I))

  提供了一种用于治疗或预防受试者体内来自黄病毒组中选定的黄色病毒感染的方法，所述黄色病毒包括丙型肝炎病毒（基因型1-7）和日本脑炎病毒。该过程包括向受试者施用至少一种由公式（I）表示的化合物的治疗有效量。
• Jacobs; Heidelberger; Rolf, Journal of the American Chemical Society, 1919, vol. 41, p. 460
  作者：Jacobs、Heidelberger、Rolf

  DOI：——

  日期：——
• Catechols and 3-hydroxypyridones as inhibitors of the DNA repair complex ERCC1-XPF
  作者：Timothy M. Chapman、Kevin J. Gillen、Claire Wallace、Maximillian T. Lee、Preeti Bakrania、Puneet Khurana、Peter J. Coombs、Laura Stennett、Simon Fox、Emilie A. Bureau、Janet Brownlees、David W. Melton、Barbara Saxty

  DOI：10.1016/j.bmcl.2015.08.031

  日期：2015.10

  Catechol-based inhibitors of ERCC1-XPF endonuclease activity were identified from a high-throughput screen. Exploration of the structure-activity relationships within this series yielded compound 13, which displayed an ERCC1-XPF IC50 of 0.6 mu M, high selectivity against FEN-1 and DNase I and activity in nucleotide excision repair, cisplatin enhancement and gamma H2AX assays in A375 melanoma cells. Screening of fragments as potential alternatives to the catechol group revealed that 3-hydroxypyridones are able to inhibit ERCC1-XPF with high ligand efficiency, and elaboration of the hit gave compounds 36 and 37 which showed promising ERCC1-XPF IC50 values of <10 mu M. (C) 2015 Elsevier Ltd. All rights reserved.