N-(3-氯苯基)-5H-嘌呤-6-胺 | 5444-43-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 中文名称: N-(3-氯苯基)-5H-嘌呤-6-胺
• 英文名称: N-(3-chlorophenyl)-9H-purin-6-amine
• 英文别名: 6-(3-chloroanilino)purine；N-(3-chlorophenyl)-7H-purin-6-amine
• CAS: 5444-43-9
• 化学式: C₁₁H₈ClN₅
• 分子量: 245.671
• InChiKey: COGLJXZAQUPABI-UHFFFAOYSA-N

物化性质

• 沸点：
  376.3±52.0 °C(Predicted)
• 密度：
  1.56±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  66.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-氯苯胺 、 6-氯嘌呤 在 N,N-二异丙基乙胺 作用下， 以 异丙醇 为溶剂， 反应 18.0h， 生成 N-(3-氯苯基)-5H-嘌呤-6-胺
  参考文献：
  名称：

  发现2-芳基喹唑啉衍生物作为新型ASK1抑制剂

  摘要：

  描述了一系列新的凋亡信号调节激酶1（ASK1）抑制剂的发展。从通过高通量筛选确定的嘌呤，嘧啶和喹唑啉支架开始，我们使用基于结构的药物设计工具开发了一系列有效的激酶抑制剂，包括对ASK1具有亚微摩尔抑制活性的2-芳基喹唑啉衍生物12和23。动力学分析表明，本文所述的2-芳基喹唑啉支架ASK1抑制剂具有ATP竞争性。

  DOI：

  10.1016/j.bmcl.2017.12.026

文献信息

• Method for treating disease or condition susceptible to amelioration by AMPK activators and compounds of formula which are useful to activate AMP-activated protein kinase (AMPK)
  申请人：CHEN Han-Min

  公开号：US20140303112A1

  公开（公告）日：2014-10-09

  The present invention relates to a method for treating disease or condition susceptible to amelioration by AMPK activators and compounds of formula which are useful to activate AMP-activated protein kinase (AMPK) and the use of the compounds in the prevention or treatment of disease, including pre-diabetes, type 2 diabetes, syndrome X, metabolic syndrome and obesity.

  本发明涉及一种治疗疾病或病情的方法，该疾病或病情容易通过AMPK激活剂和公式化合物得到改善，这些化合物有助于激活AMP激活蛋白激酶（AMPK），并将这些化合物用于预防或治疗疾病，包括糖尿病前期、2型糖尿病、X综合症、代谢综合征和肥胖症。
• Design, synthesis and ability of non-gold complexed substituted purine derivatives to inhibit LPS-induced inflammatory response
  作者：Xuebao Wang、Chao Han、Kaiqi Wu、Lu Luo、Yu Wang、Xuze Du、Qin He、Faqing Ye

  DOI：10.1016/j.ejmech.2018.02.018

  日期：2018.4

  In order to study the anti-inflammatory activity of novel 6-substituted and 6,9-disubstituted purine derivatives, 20 compounds, L1–10 and W1–10, derived from purine and lacking a gold complex were designed, synthesized and their anti-inflammatory activity was screened. LPS-induced TNF-α, IL-1β, IL-6, PGE2, NO, COX-2 and iNOS mRNA were evaluated, and western blot and NF-κB p65 translocation assay were

  为了研究新型6取代和6,9-二取代嘌呤衍生物的抗炎活性，设计，合成了20种衍生自嘌呤且缺乏金配合物的化合物L1-10和W1-10，它们的抗炎作用筛选炎症活动。评价LPS诱导的TNF-α，IL-1β，IL-6，PGE2，NO，COX-2和iNOS mRNA，并在RAW 264.7巨噬细胞中进行western blot和NF-κBp65易位测定。此外，在小鼠中进行了角叉菜胶诱导的后爪水肿实验。化合物L1，L4，W2和W4对RAW 264.7巨噬细胞中LPS诱导的TNF-α，IL-1β，IL-6和PGE2释放具有明显的剂量依赖性抑制作用。此外，这些化合物在同一细胞中强烈抑制LPS诱导的NO，COX-2和iNOS mRNA。体内抗炎活性测试结果表明，L1和L4在给药后2至5小时比已知的消炎药Au（L 3）（PPh 3）更有效，而W4在给药后3至5小时最有效。因此，W2，W4和L1，L4可以在体外和
• Heterocyclic compound based on n6-substituted adenine, methods, of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds
  申请人：Dolezal Karel

  公开号：US20050043328A1

  公开（公告）日：2005-02-24

  New heterocyclic derivatives based on N 6 -substituted adenine, having anticancer, mitotic, imunosuppressive and antisenescent propoerties for plant, animal and human cells and methods of their preparation. Included are also pharmaceutical compositions, cosmetic preparations and growth regulators, which contain these derivatives as active compound and the use of these derivatives for the preparation of drugs, cosmetic preparations, in biotechnological processes, in cosmetics and in agriculture.

  基于N6-取代腺嘌呤的新杂环衍生物具有抗癌、有丝分裂、免疫抑制和抗衰老的性质，适用于植物、动物和人类细胞，并提供其制备方法。还包括含有这些衍生物作为活性化合物的药物组合物、化妆品制剂和生长调节剂，以及这些衍生物用于制备药物、化妆品制剂、生物技术过程、化妆品和农业的用途。
• HETEROCYCLIC COMPOUNDS BASED ON N6-SUBSTITUTED ADENINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE COMPOUNDS
  申请人：Popa Igor

  公开号：US20080014227A1

  公开（公告）日：2008-01-17

  Novel heterocyclic derivatives based on N 6 -substituted adenine, having anticancer, mitotic, immunosuppressive and antisenescent properties for plant, animal and human cells and methods of their preparation. Included are also pharmaceutical compositions, cosmetic preparations and growth regulators, which contain these derivatives as active compound and the use of these derivatives for the preparation of drugs, cosmetic preparations, in biotechnological processes, in cosmetics and in agriculture.

  基于N6-取代腺嘌呤的新型杂环衍生物，具有抗癌、有丝分裂、免疫抑制和抗衰老的性质，适用于植物、动物和人类细胞，以及它们的制备方法。还包括含有这些衍生物作为活性化合物的制药组合物、化妆品制剂和生长调节剂，以及使用这些衍生物制备药物、化妆品制剂、生物技术过程、化妆品和农业的方法。
• HETEROCYCLIC COMPOUND BASED ON N sp 6 /sp −SUBSTITUTED ADENINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE
  申请人：Ustav Experimentalni Botaniky Akademie ved Ceské Republiky

  公开号：EP1419157A2

  公开（公告）日：2004-05-19