7-amino chromone | 77147-60-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 7-amino chromone
• 英文别名: 7-Amino-4h-chromen-4-one；7-aminochromen-4-one
• CAS: 77147-60-5
• 化学式: C₉H₇NO₂
• 分子量: 161.16
• InChiKey: VZRQMHSJXMIZDY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  7-amino chromone 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 (R)-1-cyanobutan-2-yl ((S)-1-(3-(3-(4-oxo-4H-chromen-7-yl)ureido)phenyl)ethyl)carbamate
  参考文献：
  名称：

  Design, synthesis and biological evaluation of novel inosine 5′-monophosphate dehydrogenase (IMPDH) inhibitors

  摘要：

  This study is based on our attempts to further explore the structure-activity relationship (SAR) of VX-148 (3) in an attempt to identify inosine 5'-mono-phosphate dehydrogenase (IMPDH) inhibitors superior to mycophenolic acid. A five-point pharmacophore developed using structurally diverse, known IMPDH inhibitors guided further design of novel analogs of 3. Several conventional as well as novel medicinal chemistry strategies were tried. The combined structure-and ligand-based approaches culminated in a few analogs with either retained or slightly higher potency. The compounds which retained the potency were also checked for their ability to inhibit human peripheral blood mononuclear cells proliferation. This study illuminates the stringent structural requirements and strict SAR for IMPDH II inhibition.

  DOI：

  10.3109/14756366.2013.793184

文献信息

• Nanocellulose as Reaction Medium for FeCl3‐Mediated Mechanochemical Deaminative Fluorination of (Hetero)aromatic Amines
  作者：Satenik Mkrtchyan、Oleksandr Shalimov、Vishal B. Purohit、Jiří Zapletal、Vaibhav D. Prajapati、Ronak V. Prajapati、Dhanasekar Elumalai、Michael G. Garcia、Juraj Filo、Gabriela Addová、Barbora Benická、Viktor O. Iaroshenko

  DOI：10.1002/adsc.202400303

  日期：——

  mechanochemical synthesis of fluoroarenes through the selective substitution of an aromatic amino group by fluorine group using pyrylium tetrafluoroborate (Pyry-BF4) and sodium fluoride (NaF) via in situ formation of pyridinium salt intermediate. The scope of the present protocol includes synthesis of twenty-eight organofluorine compounds with excellent yields via a selective substitution (SNAr) of an

  开发一种有效替代广泛使用的 Balz-Schiemann 脱氨基氟化方法（即不使用芳基重氮四氟硼酸盐）是一项具有挑战性的任务。在此，我们报道了一种方便的一锅法，用于 FeCl3-纳米纤维素介导的氟代芳烃的机械化学合成，通过使用四氟硼酸吡喃鎓 (Pyry-BF4) 和氟化钠 (NaF) 原位形成，用氟基团选择性取代芳香氨基吡啶鎓盐中间体。本协议的范围包括通过氟选择性取代（SNAr）氨基以优异的产率合成二十八种有机氟化合物。所提出的简洁方法为制药行业后期功能化开辟了进入新化学空间的途径。