2-氨基-5-羟基苯甲酰胺 | 65883-83-2

• 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-氨基-5-羟基苯甲酰胺
• 英文名称: 5-hydroxyanthranilamide
• 英文别名: 6-Amino-3-hydroxy-benzamid；2-Amino-5-hydroxybenzamide
• CAS: 65883-83-2
• 化学式: C₇H₈N₂O₂
• mdl: MFCD14621979
• 分子量: 152.153
• InChiKey: XFIDBHAYACHAFV-UHFFFAOYSA-N

物化性质

• 沸点：
  337.5±32.0 °C(Predicted)
• 密度：
  1.397±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  89.3
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-氨基-5-羟基苯甲酰胺 在 sodium ethanolate 、 N,N-二甲基苯胺 、 三氯氧磷 作用下， 以 四氢呋喃 、 乙醇 、 乙腈 为溶剂， 生成 4-tert-Butylamino-2-trifluoromethyl-quinazolin-6-ol
  参考文献：
  名称：

  Quinazolines as cyclin dependent kinase inhibitors

  摘要：

  Quinazolines have been identified as inhibitors of CDK4/D1 and CDK2/E. Aspects of the SAR were investigated using solution-phase, parallel synthesis. An X-ray crystal structure was obtained of quinazoline 51 bound in CDK2 and key interactions within the ATP binding pocket are defined.

  DOI：

  10.1016/s0960-894x(01)00185-8
• 作为产物：
  描述：

  5-Benzyloxy-2-nitrobenzamide 、 4-氨基-3-氟苯酚 以affording 1.5 g (99%) of 2-amino-5-hydroxybenzamide的产率得到2-氨基-5-羟基苯甲酰胺
  参考文献：
  名称：

  Novel bicyclic urea derivatives useful in the treatment of cancer and other disorders

  摘要：

  本发明涉及新型二芳基脲、含有这些化合物的药物组合物以及使用这些化合物或组合物治疗过度增殖和血管生成障碍的方法，可以作为单一药物或与细胞毒性治疗联合使用。

  公开号：

  US20050038031A1

文献信息

• 1-Heterocyclic alkyl-1,2,3,4-tetrahydroquinazolinones and analgesic
  申请人：Pennwalt Corporation

  公开号：US04205173A1

  公开（公告）日：1980-05-27

  1-Heterocyclic alkyl-1,2,3,4-tetrahydroquinazolinones, acid addition salts thereof, and intermediate compounds having analgesic properties. A representative quinazolinone compound is 1-[2-(1-phenyl-4-piperazinyl)-ethyl]-2-phenyl-1,2,3,4-tetrahydro-4-quinazo linone. A representative analgesic intermediate is 2-[2-(4-[1-phenyl]piperazinyl)ethylamino] bezamide.

  杂环烷基-1,2,3,4-四氢喹唑啉酮，其酸盐以及具有镇痛性质的中间化合物。代表性的喹唑啉酮化合物是1-[2-(1-苯基-4-哌嗪基)-乙基]-2-苯基-1,2,3,4-四氢-4-喹唑啉酮。代表性的镇痛中间体是2-[2-(4-[1-苯基]哌嗪基)乙基氨基]苯甲酰胺。
• Novel bicyclic urea derivatives useful in the treatment of cancer and other disorders
  申请人：Dumas Jacques

  公开号：US20050038031A1

  公开（公告）日：2005-02-17

  This invention relates to novel diaryl ureas, pharmaceutical compositions containing such compounds and the use of those compounds or compositions for treating hyper-proliferative and angiogenesis disorders, as a sole agent or in combination with cytotoxic therapies.

  本发明涉及新型二芳基脲、含有这些化合物的药物组合物以及使用这些化合物或组合物治疗过度增殖和血管生成障碍的方法，可以作为单一药物或与细胞毒性治疗联合使用。
• Structure-based design of novel HCV NS5B thumb pocket 2 allosteric inhibitors with submicromolar gt1 replicon potency: Discovery of a quinazolinone chemotype
  作者：Pierre L. Beaulieu、René Coulombe、Jianmin Duan、Gulrez Fazal、Cédrickx Godbout、Oliver Hucke、Araz Jakalian、Marc-André Joly、Olivier Lepage、Montse Llinàs-Brunet、Julie Naud、Martin Poirier、Nathalie Rioux、Bounkham Thavonekham、George Kukolj、Timothy A. Stammers

  DOI：10.1016/j.bmcl.2013.05.037

  日期：2013.7

  We describe the structure-based design of a novel lead chemotype that binds to thumb pocket 2 of HCV NS5B polymerase and inhibits cell-based gt1 subgenomic reporter replicons at sub-micromolar concentrations (EC50 <200 nM). This new class of potent thumb pocket 2 inhibitors features a 1H-quinazolin-4-one scaffold derived from hybridization of a previously reported, low affinity thiazolone chemotype with our recently described anthranilic acid series. Guided by X-ray structural information, a key NS5B-ligand interaction involving the carboxylate group of anthranilic acid based inhibitors was replaced by a neutral two-point hydrogen bonding interaction between the quinazolinone scaffold and the protein backbone. The in vitro ADME and in vivo rat PK profile of representative analogs are also presented and provide areas for future optimization of this new class of HCV polymerase inhibitors. (C) 2013 Elsevier Ltd. All rights reserved.
• 2-Oxo-1-[[(Substituted Sulfonyl)Amino]-Carbonyl]Azetidines
  申请人：Bristol-Myers Squibb GmbH

  公开号：EP0251143B1

  公开（公告）日：1992-08-26
• NOVEL BICYCLIC UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS
  申请人：Bayer Pharmaceuticals Corporation

  公开号：EP1608639A2

  公开（公告）日：2005-12-28