3-(benzenesulfonyl)-6-bromo-8-methoxy-2H-chromen-2-one | 904450-35-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 3-(benzenesulfonyl)-6-bromo-8-methoxy-2H-chromen-2-one
• 英文别名: 3-(benzenesulfonyl)-6-bromo-8-methoxychromen-2-one
• CAS: 904450-35-7
• 化学式: C₁₆H₁₁BrO₅S
• mdl: MFCD07656089
• 分子量: 395.23
• InChiKey: GDRCHQWVOAXQPV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  23
• 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：
  78
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-(Benzenesulfonyl)-6-bromo-8-methoxychromen-2-imine 在 盐酸 、 水 作用下， 反应 2.0h， 以87%的产率得到3-(benzenesulfonyl)-6-bromo-8-methoxy-2H-chromen-2-one
  参考文献：
  名称：

  An ecofriendly approach to the synthesis of 2-imino- and 2-oxo-3-phenylsulfonyl-2H-chromenes

  摘要：

  An efficient synthesis for 2-imino-3-phenylsulfonyl-2H-chromenes was developed from the Knoevenagel condensation of (phenylsulfonyl)acetonitrile and salicylaldehydes in aqueous sodium carbonate solution, at room temperature. Hydrolysis in aqueous HCl, at 80 degrees C, led to the formation of the corresponding 2-oxo-3-phenylsulfonyl-2H-chromenes, also isolated in excellent yields. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.07.069

文献信息

• SMALL MOLECULE AGONISTS AND ANTAGONISTS OF NR2F6 ACTIVITY IN ANIMALS
  申请人：ZANDER THERAPEUTICS, INC.

  公开号：US20200071307A1

  公开（公告）日：2020-03-05

  The present technology is directed to modulators of nuclear receptor activity, specifically to the modulation of NR2F6 activity and NR2F6 utilizing compounds, and the immune modulation and modulation of cancer stem cell activity through administration of compounds described herein to animals.
• [EN] SMALL MOLECULE AGONISTS AND ANTAGONISTS OF NR2F6 ACTIVITY IN NON-HUMANS<br/>[FR] AGONISTES ET ANTAGONISTES À PETITES MOLÉCULES DE L'ACTIVITÉ DE NR2F6 CHEZ DES NON-HUMAINS
  申请人：ZANDER THERAPEUTICS INC

  公开号：WO2019104201A1

  公开（公告）日：2019-05-31

  The present technology is directed to modulators of nuclear receptor activity, specifically to the modulation of NR2F6 activity and NR2F6 utilizing compounds, and the immune modulation and modulation of cancer stem cell activity through administration of compounds described herein. In certain embodiments the present disclosure is directed to methods of using small molecule compounds as immune modulators.
• [EN] SMALL MOLECULE AGONISTS AND ANTAGONISTS OF NR2F6 ACTIVITY<br/>[FR] AGONISTES ET ANTAGONISTES À PETITES MOLÉCULES DE L'ACTIVITÉ DE NR2F6
  申请人：REGEN BIOPHARMA INC

  公开号：WO2019104199A1

  公开（公告）日：2019-05-31

  The present technology is directed to modulators of nuclear receptor activity, specifically to the modulation of NR2F6 activity and NR2F6 utilizing compounds, and the immune modulation and modulation of cancer stem cell activity through administration of compounds described herein. In certain embodiments the present disclosure is directed to methods of using small molecule compounds as immune modulators.