3-(4-溴苯基)-7-羟基-2-甲基-4H-苯并吡喃-4-酮 | 610758-58-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 中文名称: 3-(4-溴苯基)-7-羟基-2-甲基-4H-苯并吡喃-4-酮
• 英文名称: 3-(4-bromophenyl)-7-hydroxy-2-methyl-4H-chromen-4-one
• 英文别名: 3-(4-bromophenyl)-7-hydroxy-2-methylchromen-4-one
• CAS: 610758-58-2
• 化学式: C₁₆H₁₁BrO₃
• mdl: MFCD01547600
• 分子量: 331.166
• InChiKey: XXHWHHKTAAYCHI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2932999099

反应信息

• 作为反应物：
  描述：

  3-(4-溴苯基)-7-羟基-2-甲基-4H-苯并吡喃-4-酮 在 吡啶 、 盐酸羟胺 作用下， 反应 3.0h， 以85%的产率得到4-[4-(4-bromophenyl)-3-methylisoxazol-5-yl]benzene-1,3-diol
  参考文献：
  名称：

  4-甲基伞形酮的6-异恶唑基衍生物的合成

  摘要：

  开发了 6-(5-异恶唑基) 香豆素的两步合成。羟胺将 7-羟基色酮再循环成 4-(5-异恶唑基)-1,3-苯二醇，然后与乙酰乙酸酯缩合生成 6-(5-异恶唑基)-4-甲基伞形酮衍生物，异恶唑环上有芳基和杂芳基取代基。

  DOI：

  10.1007/s10600-017-2080-6

文献信息

• Novel therapeutic target for protozoal diseases
  申请人：Rathore Dharmender

  公开号：US20070148185A1

  公开（公告）日：2007-06-28

  A novel Hemozoin Detoxification Protein (HDP) from Plasmodium and related parasites is provided as a target for therapeutic intervention in diseases caused by the parasites. HDP has been shown to play a critical role in adhesion to, or invasion into, host cells by the parasite. Furthermore, HDP catalyzes the neutralization of heme by the parasite, by promoting its polymerization into hemozoin. This invention provides methods and compositions for therapies based on the administration of protein, DNA or cell-based vaccines and/or antibodies based on HDP, or antigenic epitopes of HDP, either alone or in combination with other parasite antigens. Methods for the development and use of compounds that inhibit the catalytic activity of HDP, and diagnostic and laboratory methods utilizing HDP are also provided. HDP is also referred to herein as Fasciclin Related Adhesive Protein (FRAP).
• [EN] A NOVEL THERAPEUTIC TARGET FOR PROTOZOAL DISEASES<br/>[FR] UNE NOUVELLE CIBLE THÉRAPEUTIQUE POUR LES MALADIES À PROTOZOAIRE
  申请人：VIRGINIA TECH INTELL PROP

  公开号：WO2007047579A2

  公开（公告）日：2007-04-26

  [EN] A novel Hemozoin Detoxification Protein (HDP) from Plasmodium and related parasites is provided as a target for therapeutic intervention in diseases caused by the parasites. HDP has been shown to play a critical role in adhesion to, or invasion into, host cells by the parasite. Furthermore, HDP catalyzes the neutralization of heme by the parasite, by promoting its polymerization into hemozoin. This invention provides methods and compositions for therapies based on the administration of protein, DNA or cell-based vaccines and/or antibodies based on HDP, or antigenic epitopes of HDP, either alone or in combination with other parasite antigens. Methods for the development and use of compounds that inhibit .the catalytic activity of HDP, and diagnostic and laboratory methods utilizing HDP are also provided. HDP is also referred to herein as Fasciclin Related Adhesive Protein (FRAP).
  [FR] L'invention concerne une nouvelle protéine de désintoxication de l'hémozoïne (PDH) de plasmodium et de parasites apparentés, comme cible pour intervention thérapeutique dans des maladies causées par lesdits parasites. La PDH s'est avéré jouer un rôle critique dans l'adhésion à des, ou l'invasion de, cellules hôtes par le parasite. En outre, La PDH catalyse la neutralisation de l'hème par le parasite, en encourageant sa polymérisation en hémozoïne. La présente invention concerne des méthodes et des compositions pour des thérapies basées sur l'administration de vaccins à base de protéine, d'ADN ou de cellules, et/ou d'anticorps basés sur la PDH ou d'épitopes antigènes de la PDH, seuls ou en combinaison avec d'autres antigènes de parasites. L'invention concerne aussi des méthodes pour développer et utiliser des composés qui inhibent l'activité catalytique de la PDH, et des méthodes diagnostiques et de laboratoire utilisant la PDH. On fait également référence ici à la PDH comme protéine adhésive apparentée à la fascicline (FRAP : Fasciclin Related Adhesive Protein).
• Synthesis of 6-Isoxazolyl Derivatives of 4-Methylumbelliferone
  作者：T. V. Shokol、N. V. Gorbulenko、M. S. Frasinyuk、V. P. Khilya

  DOI：10.1007/s10600-017-2080-6

  日期：2017.7

  A two-step synthesis of 6-(5-isoxazolyl)coumarins was developed. Recyclization of 7-hydroxychromones by hydroxylamine into 4-(5-isoxazolyl)-1,3-benzenediols followed by condensation with acetoacetic ester produced 6-(5-isoxazolyl)-4-methylumbelliferone derivatives with aryl and hetaryl substituents on the isoxazole ring.

  开发了 6-(5-异恶唑基) 香豆素的两步合成。羟胺将 7-羟基色酮再循环成 4-(5-异恶唑基)-1,3-苯二醇，然后与乙酰乙酸酯缩合生成 6-(5-异恶唑基)-4-甲基伞形酮衍生物，异恶唑环上有芳基和杂芳基取代基。