(E)-4-(chloromethyl)-2-(2-fluoro-4-(trifluoromethyl)styryl)oxazole | 568595-16-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (E)-4-(chloromethyl)-2-(2-fluoro-4-(trifluoromethyl)styryl)oxazole
• 英文别名: 4-chloromethyl-2-[2-(2-fluoro-4-trifluoromethyl-phenyl)-vinyl]-oxazole；4-(chloromethyl)-2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole
• CAS: 568595-16-4
• 化学式: C₁₃H₈ClF₄NO
• 分子量: 305.659
• InChiKey: HHGLJNDYKSCMNK-DUXPYHPUSA-N

物化性质

• 沸点：
  365.2±52.0 °C(Predicted)
• 密度：
  1.427±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  26
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (E)-4-(chloromethyl)-2-(2-fluoro-4-(trifluoromethyl)styryl)oxazole 在 sodium acetate 、 溶剂黄146 、 氢氧化钾 、 ammonium chloride 作用下， 以 乙醇 、 水 为溶剂， 反应 60.0h， 以84%的产率得到{2-[2-(2-fluoro-4-trifluoromethyl-phenyl)-vinyl]-oxazol-4-yl}-methanol
  参考文献：
  名称：

  Novel diazine derivatives

  摘要：

  本发明提供了式（I）的化合物：它们的药用盐或酯，对映体形式，二对映异构体和拉克酸盐，上述化合物的制备，含有它们的药物组合物及其制备，以及上述化合物在控制或预防癌症等疾病中的应用。

  公开号：

  US20050222228A1
• 作为产物：
  描述：

  3-(2-fluoro-4-trifluoromethyl-phenyl)-acrylamide 、 1,3-二氯丙酮 以 甲苯 为溶剂， 反应 16.0h， 以23%的产率得到(E)-4-(chloromethyl)-2-(2-fluoro-4-(trifluoromethyl)styryl)oxazole
  参考文献：
  名称：

  Novel oxazoles, their manufacture and use as pharmaceutical agents

  摘要：

  本发明涉及公式（I）的新型噁唑，其药学上可接受的盐，对映体形式，非对映异构体和外消旋体，上述化合物的制备，含有它们的药物以及它们的制造，以及上述化合物在控制或预防癌症等疾病中的应用。

  公开号：

  US20050038091A1

文献信息

• [EN] HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS HÉTÉROCYCLIQUES DE L'ACTIVITÉ MITOCHONDRIALE ET UTILISATIONS ASSOCIÉES
  申请人：UNIV MONTREAL

  公开号：WO2019084662A1

  公开（公告）日：2019-05-09

  Heterocyclic compounds of Formula (I) and pharmaceutically acceptable salt thereof are disclosed. The use of such heterocyclic compounds and pharmaceutically acceptable salt thereof for the treatment of cancers, and more particularly cancers sensitive to mitochondrial activity inhibition and increased reactive oxygen species (ROS) levels, is also disclosed. Such cancers include acute myeloid leukemia (AML), preferably AML characterized by certain features, such as high level of expression of one or more Homeobox (HOX)-network genes, high and/or low expression of specific genes, the presence of one or more cytogenetic or molecular risk factors such as intermediate cytogenetic risk, Normal Karyotype (A/K), mutated NPM1, mutated CEBPA, mutated FLT3, mutated DNMT3A, mutated TET2, mutated IDH1, mutated IDH2, mutated RUNX1, mutated WT1, mutated SRSF2, intermediate cytogenetic risk with abnormal karyotype (intern(abnK)), trisomy 8 (+8) and/or abnormal chromosome (5/7), and/or a high leukemic stem cell (LSC) frequency.

  化合物的分子式（I）的杂环化合物及其药用盐已被披露。还披露了这种杂环化合物及其药用盐用于治疗癌症，尤其是对于对线粒体活性抑制和增加活性氧化物（ROS）水平敏感的癌症。这些癌症包括急性髓样白血病（AML），最好是具有某些特征的AML，例如高水平表达一个或多个Homeobox（HOX）网络基因，特定基因的高和/或低表达，存在一个或多个细胞遗传学或分子风险因素，如中等细胞遗传学风险，正常核型（A/K），突变NPM1，突变CEBPA，突变FLT3，突变DNMT3A，突变TET2，突变IDH1，突变IDH2，突变RUNX1，突变WT1，突变SRSF2，具有异常核型的中等细胞遗传学风险（intern(abnK)），三体8（+8）和/或异常染色体（5/7），和/或高白血病干细胞（LSC）频率。
• [EN] 1-'(E)-2-(PHENYL) ETHENYL-4-(ARYLALKOXY)-OXAZOLE OR - THIAZOLE COMPOUNDS AS HER-2 TYROSINE KINASES INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER<br/>[FR] COMPOSES DE 1-'(E)-2-(PHENYL) ETHENYL-4-(ARYLALKOXY)-OXAZOLE OU -THIAZOLE SERVANT D'INHIBITEURS DE HER-2 TYROSINE KINASES ET LEUR UTILISATION POUR TRAITER UN CANCER
  申请人：HOFFMANN LA ROCHE

  公开号：WO2005040158A1

  公开（公告）日：2005-05-06

  Objects of the present invention are the compounds of formula (I), their pharmaceutically acceptable salts, enantiomeric forms thereof, diastereoisomers and racemates, the preparation of the above-mentioned compounds, medicaments containing them and their manufacture, as well as the use of the above-mentioned compounds in the control or prevention of illnesses such as cancer.

  本发明的对象是公式(I)的化合物，它们的药用盐，对映体形式，二对映异构体和外消旋体，上述化合物的制备，含有它们的药物以及其制造，以及上述化合物在控制或预防癌症等疾病中的应用。
• NOVEL THIOETHER DERIVATIVES
  申请人：Bossenmaier Birgit

  公开号：US20050267179A1

  公开（公告）日：2005-12-01

  Objects of the present invention are the compounds of formula (I) their pharmaceutically acceptable salts, enantiomeric forms, diastereoisomers and racemates, the preparation of the above compounds, pharmaceutical compositions containing them and their manufacture, as well as the use of the above compounds in the control or prevention of illnesses such as cancer.

  本发明的对象是式(I)的化合物及其药学上可接受的盐、对映体形式、二对映异构体和消旋体，上述化合物的制备，含有它们的药物组合物及其制造，以及上述化合物在控制或预防癌症等疾病中的应用。
• Novel arylazole derivatives, their manufacture and use as pharmaceutical agents
  申请人：Bossenmaier Birgit

  公开号：US20050124670A1

  公开（公告）日：2005-06-09

  There are presented compounds of formula (I) their pharmaceutically acceptable salts, enantiomeric forms thereof, diastereoisomers and racemates, the preparation of the above-mentioned compounds, medicaments containing them and their manufacture, as well as the use of the above-mentioned compounds in the control or prevention of illnesses such as cancer.

  本文介绍了公式(I)的化合物及其药学上可接受的盐、对映体、非对映异构体和外消旋体，上述化合物的制备，包含它们的药物和制造方法，以及上述化合物在控制或预防诸如癌症等疾病中的应用。
• Pyrazole Derivatives, Their Manufacture and Their Use as Pharmaceutical Agents
  申请人：Krell Hans-Willi

  公开号：US20090264485A1

  公开（公告）日：2009-10-22

  Objects of the present invention are the compounds of formula I their pharmaceutically acceptable salts, enantiomeric forms, diastereoisomers and racemates, the preparation of the above-mentioned compounds, pharmaceutical compositions containing them and their manufacture, as well as the use of the above-mentioned compounds in the control or prevention of illnesses such as cancer.

  本发明的对象是公式I化合物及其药学上可接受的盐、对映体、非对映异构体和混合物，上述化合物的制备，含有它们的制药组合物及其制造，以及上述化合物在控制或预防癌症等疾病中的使用。