1,4-二氢-7-碘-4-氧代-3-喹啉甲腈 | 364793-65-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 中文名称: 1,4-二氢-7-碘-4-氧代-3-喹啉甲腈
• 英文名称: 7-iodo-4-oxo-1,4-dihydroquinoline-3-carbonitrile
• 英文别名: 4-Hydroxy-7-iodoquinoline-3-carbonitrile；7-iodo-4-oxo-1H-quinoline-3-carbonitrile
• CAS: 364793-65-7
• 化学式: C₁₀H₅IN₂O
• 分子量: 296.067
• InChiKey: PIUNYAISORRMIV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  52.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,4-二氢-7-碘-4-氧代-3-喹啉甲腈 在 三氯氧磷 作用下， 生成 4-氯-7-碘-喹啉-3-甲腈
  参考文献：
  名称：

  Inhibition of Src kinase activity by 4-anilino-7-thienyl-3-quinolinecarbonitriles

  摘要：

  Based on a screening lead from a yeast-based assay to identify Src family kinase inhibitors, a series of 4-anilino-7-thienyl-3-quinolinecarbonitriles was prepared. When the thiophene ring was substituted with a water-solubilizing group in a 2,5-, 3,5- or 2,4-pattern, potent inhibition of Src kinase activity was observed. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00302-5
• 作为产物：
  描述：

  2-氰基-3-((3-碘苯基)氨基)丙烯酸乙酯 以 various solvent(s) 为溶剂， 生成 1,4-二氢-7-碘-4-氧代-3-喹啉甲腈
  参考文献：
  名称：

  Inhibition of Src kinase activity by 4-anilino-7-thienyl-3-quinolinecarbonitriles

  摘要：

  Based on a screening lead from a yeast-based assay to identify Src family kinase inhibitors, a series of 4-anilino-7-thienyl-3-quinolinecarbonitriles was prepared. When the thiophene ring was substituted with a water-solubilizing group in a 2,5-, 3,5- or 2,4-pattern, potent inhibition of Src kinase activity was observed. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00302-5

文献信息

• 3-cyanoquinolines, 3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors
  申请人：American Home Products Corporation

  公开号：US20020026052A1

  公开（公告）日：2002-02-28

  This invention provides compounds of Formula (I), having the structure 1 where T, Z, X, A, R 1 , R 2a , R 2b , R 2c , R 3 , R 4 , and n are defined herein, or a pharmaceutically acceptable salt thereof which are useful as antineoplastic agents and in the treatment of osteoporosis and polycystic kidney disease.

  这项发明提供了具有结构的化合物（I）的公式， 其中T、Z、X、A、R 1 、R 2a 、R 2b 、R 2c 、R 3 、R 4 和n在此处定义，或其药学上可接受的盐，这些化合物可用作抗肿瘤药物，并用于骨质疏松症和多囊肾病的治疗。
• 新型含喹唑啉类化合物及其中间体与应用
  申请人：苏州美诺医药科技有限公司

  公开号：CN112939948B

  公开（公告）日：2022-05-17

  本发明公开了一种具有式(IA)、(IB)或(IC)的含喹唑啉类化合物或者其药学上可接受的盐或者其前药分子，所述化合物适合用作极光激酶(Aurora)抑制剂且因此适于治疗以过度或异常细胞增殖为特征的例如治疗由Aurora介导的疾病，例如癌症。
• [EN] 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS<br/>[FR] 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES ET 3-CYANO-1,7-NAPHTHYRIDINES UTILISEES COMME INHIBITEURS DE PROTEINEKINASE
  申请人：AMERICAN HOME PROD

  公开号：WO2001072711A1

  公开（公告）日：2001-10-04

  Compounds of Formula (I), having the structure or a pharmaceutically salt thereof are useful as antineoplastic agents and in the treatment of osteoporosis and polycystic kidney disease.

  具有结构式（I）或其药物盐的化合物在抗肿瘤药物和治疗骨质疏松症和多囊肾病方面是有用的。
• [EN] NOVEL QUINAZOLINE-CONTAINING COMPOUND, AND INTERMEDIATE THEREOF AND USE THEREOF<br/>[FR] NOUVEAU COMPOSÉ CONTENANT DE LA QUINAZOLINE, INTERMÉDIAIRE DE CELUI-CI, ET UTILISATION ASSOCIÉE<br/>[ZH] 新型含喹唑啉类化合物及其中间体与应用
  申请人：SUZHOU ACESOLA PHARMACEUTICAL CO LTD

  公开号：WO2021115432A1

  公开（公告）日：2021-06-17

  提供一种具有式(IA)、(IB)或(IC)的含喹唑啉类化合物或者其药学上可接受的盐或者其前药分子，所述化合物适合用作极光激酶(Aurora)抑制剂且因此适于治疗以过度或异常细胞增殖为特征的例如治疗由Aurora 介导的疾病，例如癌症。
• Discovery of 4-alkylamino-7-aryl-3-cyanoquinoline LRRK2 kinase inhibitors
  作者：Albert W. Garofalo、Marc Adler、Danielle L. Aubele、Elizabeth F. Brigham、David Chian、Maurizio Franzini、Erich Goldbach、Grace T. Kwong、Ruth Motter、Gary D. Probst、Kevin P. Quinn、Lany Ruslim、Hing L. Sham、Danny Tam、Pearl Tanaka、Anh P. Truong、Xiaocong M. Ye、Zhao Ren

  DOI：10.1016/j.bmcl.2013.02.041

  日期：2013.4

  Mutations in leucine-rich repeat kinase 2 (LRRK2) are associated with familial Parkinson's disease (PD). The kinase activity of this complex protein is increased by pathogenic mutations. Inhibition of LRRK2 kinase activity has therefore emerged as a promising approach for the treatment of PD. Herein we report our findings on a series of 4-alkylamino-7-aryl-3-cyanoquinolines that exhibit kinase inhibitory activity against both wild type and G2019S mutant LRRK2. Activity was determined in both biochemical and cellular assays. Compound 14 was further evaluated in an in vivo pharmacodynamic study and found to significantly inhibit Ser935 phosphorylation after oral dosing. (C) 2013 Elsevier Ltd. All rights reserved.