3-methyl-4-(4-thiazolyl)-5-(2-hydroxy-4-methoxyphenyl)isoxazole | 82587-54-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 3-methyl-4-(4-thiazolyl)-5-(2-hydroxy-4-methoxyphenyl)isoxazole
• 英文别名: 5-methoxy-2-[3-methyl-4-(1,3-thiazol-4-yl)-1,2-oxazol-5-yl]phenol
• CAS: 82587-54-0
• 化学式: C₁₄H₁₂N₂O₃S
• 分子量: 288.327
• InChiKey: LFWRNBBHBHBODY-UHFFFAOYSA-N

物化性质

• 熔点：
  135-136 °C(Solv: water (7732-18-5); ethanol (64-17-5))
• 沸点：
  437.1±45.0 °C(Predicted)
• 密度：
  1.326±0.06 g/cm3(Predicted)
• 溶解度：
  >43.2 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  96.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  7-methoxy-2-methyl-3-thiazol-4-yl-chromen-4-one 在 盐酸羟胺 作用下， 以 吡啶 为溶剂， 反应 3.0h， 以75%的产率得到3-methyl-4-(4-thiazolyl)-5-(2-hydroxy-4-methoxyphenyl)isoxazole
  参考文献：
  名称：

  异黄酮异类似物的化学。9.异黄酮的噻唑类似物与亲核试剂和亲电试剂的反应

  摘要：

  DOI：

  10.1007/bf00522119

文献信息

• XILYA, V. P.;KUPCHEVSKAYA, I. P.;KAZAKOV, A. L.;TKACHUK, T. M.;GOLUBUSHIN+, XIMIYA GETEROTSIKL. SOEDIN., 1982, N 3, 321-327
  作者：XILYA, V. P.、KUPCHEVSKAYA, I. P.、KAZAKOV, A. L.、TKACHUK, T. M.、GOLUBUSHIN+

  DOI：——

  日期：——
• 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).
• [EN] SMALL MOLECULE INHIBITORS OF VIRAL REPLICATION<br/>[FR] INHIBITEURS À PETITES MOLÉCULES DE RÉPLICATION VIRALE
  申请人：UNIV PRINCETON

  公开号：WO2020231979A1

  公开（公告）日：2020-11-19

  Provided herein are methods involving a compound of the following structural formula: (I) or a pharmaceutically acceptable salt thereof, wherein values for the variables are as described herein. For example, methods for inhibiting replication of a virus, treating a viral infection, inhibiting heat shock protein 90 and treating a heat shock protein 90-mediated disease or condition using a compound of Structural Formula I are provided.
• Chemistry of heteroanalogs of isoflavones. 9. Reaction of thiazole analogs of isoflavones with nucleophilic and electrophilic reagents
  作者：V. P. Khilya、I. P. Kupchevskaya、A. L. Kazakov、T. M. Tkachuk、G. M. Golubushina

  DOI：10.1007/bf00522119

  日期：1982.3