(2-氯-4-硝基苯基)-乙腈 | 89277-99-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (2-氯-4-硝基苯基)-乙腈
• 英文名称: (2-Chloro-4-nitrophenyl)acetonitrile
• 英文别名: (2-chloro-4-nitro-phenyl)-acetonitrile；2-chloro-4-nitro-phenyl-acetonitrile；2-(2-Chloro-4-nitrophenyl)acetonitrile
• CAS: 89277-99-6
• 化学式: C₈H₅ClN₂O₂
• 分子量: 196.593
• InChiKey: WLCJERYAJOGPSV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  69.6
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2926909090

反应信息

• 作为反应物：
  描述：

  (2-氯-4-硝基苯基)-乙腈 在 盐酸 、 铁粉 、 氯化铵 、 溶剂黄146 作用下， 以 甲醇 、 甲苯 为溶剂， 生成 3-Chloro-4-[(1-methylimidazol-2-yl)methyl]aniline
  参考文献：
  名称：

  Synthesis and evaluation of 4-Anilino-6,7-dialkoxy-3-quinolinecarbonitriles as inhibitors of kinases of the Ras-MAPK signaling cascade

  摘要：

  4-[3-Chloro-4-(1-methyl-1H-imidazol-2-ylsulfanyl)]anilino-6,7-diethoxy-3- quinolinecarbonitrile (3) was identified as a MEK1 kinase inhibitor with exceptional activity against LoVo cells. The structure-activity relationships of the C-4 aniline substituents were explored, and water-solubilizing groups were added at the C-7 position to improve physical properties. Secondary cellular assays revealed that a compound possessing the appropriate aniline substituents inhibited MEK1 as well as MAPK phosphorylation, thereby acting as a dual inhibitor of the Ras-MAPK signaling cascade. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00640-1
• 作为产物：
  描述：

  2-氯-4-硝基甲苯 在 hydroxylamine-O-sulfonic acid 作用下， 以 水 为溶剂， 反应 10.0h， 生成 (2-氯-4-硝基苯基)-乙腈
  参考文献：
  名称：

  WO2008/117175

  摘要：

  公开号：

文献信息

• Optimization of 6,7-Disubstituted-4-(arylamino)quinoline-3-carbonitriles as Orally Active, Irreversible Inhibitors of Human Epidermal Growth Factor Receptor-2 Kinase Activity
  作者：Hwei-Ru Tsou、Elsebe G. Overbeek-Klumpers、William A. Hallett、Marvin F. Reich、M. Brawner Floyd、Bernard D. Johnson、Ronald S. Michalak、Ramaswamy Nilakantan、Carolyn Discafani、Jonathan Golas、Sridhar K. Rabindran、Ru Shen、Xiaoqing Shi、Yu-Fen Wang、Janis Upeslacis、Allan Wissner

  DOI：10.1021/jm040159c

  日期：2005.2.1

  inhibitor 86 (EKB-569). Three synthetic routes were used to prepare these compounds. They were prepared mostly by acylation of 6-amino-4-(arylamino)quinoline-3-carbonitriles with unsaturated acid chlorides or by amination of 4-chloro-6-(crotonamido)quinoline-3-carbonitriles with monocyclic or bicyclic anilines. The third route was developed to prepare a key intermediate, 6-acetamido-4-chloroquinoline-3-carbonitrile

  一系列新的6,7-二取代的4-（芳基氨基）喹啉-3-甲腈衍生物可作为人类表皮生长因子受体2（HER-2）和表皮生长因子受体（EGFR）激酶的不可逆抑制剂发挥作用。准备好了。与我们的EGFR激酶抑制剂86（EKB-569）相比，这些化合物表现出增强的抑制HER-2激酶和HER-2阳性细胞生长的活性。使用三种合成途径来制备这些化合物。它们的制备主要是通过6-氨基-4-（芳基氨基）喹啉-3-腈与不饱和酰氯的酰化作用或通过4-氯-6-（巴豆酰胺基）喹啉-3-腈与单环或双环苯胺的胺化而制备的。开发了第三条路线来制备关键中间体，即6-乙酰氨基-4-氯喹啉-3-腈，该中间体涉及更安全的环化步骤。我们显示，在4-（芳基氨基）环的对位上附加一个大的亲脂基团会导致抑制HER-2激酶的效力提高。我们还显示了在迈克尔受体末端的碱性二烷基氨基对于活性的重要性，这归因于迈克尔加成的分子内催化作用。这与改善的水溶性一起
• [EN] 1H-IMIDAZO[4,5-C]QUINOLINE DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES<br/>[FR] DERIVES D'1H-IMIDAZO[4,5-C]QUINOLINE DANS LE TRAITEMENT DE MALADIES DEPENDANT DE LA PROTEINE KINASE
  申请人：NOVARTIS AG

  公开号：WO2005054238A1

  公开（公告）日：2005-06-16

  The invention relates to the use of imidazoquinolines and salts thereof in the treatment of protein kinase diseases and for the manufacture of pharmaceutical preparations for the treatment of said diseases, imidazoquinolines for use in the treatment of protein kinase dependent diseases, a method of treatment against said diseases, comprising administering the imidazoquinolines to a warm-blooded animal, especially a human, pharmaceutical preparations comprising an imidazoquinoline, especially for the treatment of a protein kinase dependent disease, novel imidazoquinolines, and a process for the preparation of the novel imidazoquinolines.

  该发明涉及咪唑喹啉及其盐在治疗蛋白激酶疾病以及用于制备治疗该疾病的药物制剂中的应用，咪唑喹啉用于治疗蛋白激酶依赖性疾病，一种治疗上述疾病的方法，包括向温血动物，特别是人类，给予咪唑喹啉，包含咪唑喹啉的药物制剂，特别用于治疗蛋白激酶依赖性疾病，新型咪唑喹啉，以及制备新型咪唑喹啉的方法。
• 1H-Imidazo[4,5-C]Quinoline Derivatives in the Treatment of Protein Kinase Dependent Diseases
  申请人：Capraro Hans-Georg

  公开号：US20070213355A1

  公开（公告）日：2007-09-13

  The invention relates to the use of imidazoquinolines and salts thereof in the treatment of protein kinase dependent diseases and for the manufacture of pharmaceutical preparations for the treatment of said diseases, imidazoquinolines for use in the treatment of protein kinase dependent diseases, a method of treatment against said diseases, comprising administering the imidazoquinolines to a warm-blooded animal, especially a human, pharmaceutical preparations comprising an imidazoquinoline, especially for the treatment of a protein kinase dependent disease, novel imidazoquinolines, and a process for the preparation of the novel imidazoquinolines.

  本发明涉及在蛋白激酶依赖性疾病治疗中使用咪唑喹啉及其盐，并用于制造用于治疗该类疾病的药物制剂，咪唑喹啉用于治疗蛋白激酶依赖性疾病，一种治疗该类疾病的方法，包括向温血动物尤其是人类施用咪唑喹啉，包括咪唑喹啉的药物制剂，特别是用于治疗蛋白激酶依赖性疾病的药物制剂，新型咪唑喹啉以及制备新型咪唑喹啉的方法。
• NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE
  申请人：Bonnet Beatrice

  公开号：US20100249123A1

  公开（公告）日：2010-09-30

  The present invention provides new compounds of formula I, wherein Q, R 1 , R 2 , R 4 , R 5 , R 6 , X i , R 7 , R 8 , M and G 1 n are defined as in formula I; invention compounds are modulators of follicle-stimulating hormone—(“FSH”) which are useful for male and female contraception as well as other disorders modulated by FSH receptor.

  本发明提供了新的I式化合物，其中Q、R1、R2、R4、R5、R6、Xi、R7、R8、M和G1n如I式中所定义；发明化合物是促卵泡素-（“FSH”）的调节剂，可用于男性和女性避孕以及其他受FSH受体调节的疾病。
• [EN] 6-HETEROCYCLOALKYL-QUINAZOLINE DERIVATIVES AND USES THEREOF<br/>[FR] DÉRIVÉS DE 6-HÉTÉROCYCLOALKYLE-QUINAZOLINE ET LEURS UTILISATIONS
  申请人：BLACK DIAMOND THERAPEUTICS INC

  公开号：WO2022266458A1

  公开（公告）日：2022-12-22

  The present disclosure relates to compounds of Formula (I): and pharmaceutically acceptable salts and stereoisomers thereof, useful in the treatment of cancers associated with ErbB oncogenic activity, including methods of preparing the compounds, compositions comprising the compounds, and methods of using the compounds (e.g., in the treatment of cancer).

  本公开涉及式（I）的化合物及其药学上可接受的盐和立体异构体，用于治疗与ErbB致癌活性相关的癌症，包括制备该化合物的方法，包含该化合物的组合物，以及使用该化合物的方法（例如，用于治疗癌症）。