(E)-methyl 3-(2-chloro-6-fluorophenyl)-5-(2-(dimethylamino)vinyl)isoxazole-4-carboxylate | 1391943-72-8

• 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)-methyl 3-(2-chloro-6-fluorophenyl)-5-(2-(dimethylamino)vinyl)isoxazole-4-carboxylate
• 英文别名: methyl 3-(2-chloro-6-fluorophenyl)-5-[(E)-2-(dimethylamino)ethenyl]-1,2-oxazole-4-carboxylate
• CAS: 1391943-72-8
• 化学式: C₁₅H₁₄ClFN₂O₃
• 分子量: 324.739
• InChiKey: GQJJMEASJGFUAS-BQYQJAHWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  55.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (E)-methyl 3-(2-chloro-6-fluorophenyl)-5-(2-(dimethylamino)vinyl)isoxazole-4-carboxylate 在 乙酰氯 作用下， 以 1,4-二氧六环 为溶剂， 反应 216.0h， 以55%的产率得到trimethyl 5,5',5"-(benzene-1,3,5-triyl)tris(3-(2-chloro-6-fluorophenyl)isoxazole-4-carboxylate)
  参考文献：
  名称：

  Self-condensation of β-(isoxazol-5-yl) enamines under treatment with acetyl chloride and acids. Synthesis of novel 1,3-diisoxazolyl-1,3-dieneamines and 1,3,5-triisoxazolyl benzenes

  摘要：

  Two directions for self-condensation of beta-(isoxazol-5-yl) enamines under treatment with either acetyl chloride or acids were found leading to new 1,3-diisoxazolyl-1,3-dieneamines and 1,3,5-triisoxazolyl benzenes. The effect of solvent, acid, temperature and the reaction time on the ratio of reaction products were investigated. Trans-E-cis configuration of prepared 1,3-diisoxazolyl-1,3-dieneamines was unambiguously confirmed by 2D NMR spectra and X-ray analysis. A new mechanism of 1,3-diisoxazolyl-1,3-dieneamines formation was proposed. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.04.015
• 作为产物：
  描述：

  Α-氯-2-氯-6-氟苯甲醛肟 在 sodium ethanolate 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 14.0h， 生成 (E)-methyl 3-(2-chloro-6-fluorophenyl)-5-(2-(dimethylamino)vinyl)isoxazole-4-carboxylate
  参考文献：
  名称：

  [EN] METHODS FOR TREATING CANCER
  [FR] MÉTHODES DE TRAITEMENT DU CANCER

  摘要：

  The present invention provides methods comprising one or compounds according to Formula (I) alone or in combination with one or more anticancer drugs, such as an anti-androgen drug, that are useful for treating cancer, e.g. prostate cancer, such as castration-resistant prostate cancer (CRPC) and numerous other types of cancer including lung cancer, breast cancer, liver cancer, ovarian cancer, endometrial cancer, bladder cancer, colon cancer, lymphoma and glioma.

  公开号：

  WO2023281097A1

文献信息

• IL17 AND IFN-GAMMA INHIBITION FOR THE TREATMENT OF AUTOIMMUNE INFLAMMATION
  申请人：LEBAN Johann

  公开号：US20120196861A1

  公开（公告）日：2012-08-02

  The present invention relates to compounds of the general formula (I), and the pharmaceutically acceptable salt or solvate thereof, as anti-inflammatory and immunomodulatory agents.

  本发明涉及通式（I）的化合物，以及其药用可接受的盐或溶剂，作为抗炎和免疫调节剂。
• [EN] TRICYCLIC PYRROLO DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS<br/>[FR] DÉRIVÉS PYRROLO TRICYCLIQUES, LEUR PROCÉDÉ DE PRÉPARATION ET LEUR UTILISATION À TITRE D'INHIBITEURS DE KINASES
  申请人：NERVIANO MEDICAL SCIENCES SRL

  公开号：WO2012101032A1

  公开（公告）日：2012-08-02

  The present invention relates to tricyclic pyrrolo derivatives of Formula (I), which modulate the activity of protein kinases and are therefore useful in treating diseases caused by dysregulated protein kinase activity. The present invention also provides methods for preparing these compounds, pharmaceutical compositions comprising these compounds, and methods of treating diseases utilizing such these compounds or the pharmaceutical compositions containing them.

  本发明涉及式（I）的三环吡咯衍生物，其调节蛋白激酶的活性，因此在治疗由失调的蛋白激酶活性引起的疾病方面具有用途。本发明还提供了制备这些化合物的方法、包含这些化合物的药物组合物以及利用这些化合物或含有它们的药物组合物治疗疾病的方法。
• TRICYCLIC PYRROLO DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS
  申请人：Nerviano Medical Sciences S.r.l.

  公开号：EP2668190A1

  公开（公告）日：2013-12-04
• US8354436B2
  申请人：——

  公开号：US8354436B2

  公开（公告）日：2013-01-15
• US8592456B2
  申请人：——

  公开号：US8592456B2

  公开（公告）日：2013-11-26