1-(2-甲基-4-硝基苯基)乙酮 | 77344-68-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(2-甲基-4-硝基苯基)乙酮
• 英文名称: 1-(2-methyl-4-nitrophenyl)ethan-1-one
• 英文别名: 2-methyl-4-nitroacetophenone；1-(2-Methyl-4-nitrophenyl)ethanone
• CAS: 77344-68-4
• 化学式: C₉H₉NO₃
• 分子量: 179.175
• InChiKey: YNCIXVBGKCHARM-UHFFFAOYSA-N

物化性质

• 沸点：
  298℃
• 密度：
  1.201
• 闪点：
  139℃

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  62.9
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

反应信息

• 作为反应物：
  描述：

  1-(2-甲基-4-硝基苯基)乙酮 在 盐酸羟胺 、 sodium acetate 、 sodium hydride 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 36.5h， 生成 3-(2-methyl-4-nitrophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-5-ol
  参考文献：
  名称：

  [EN] INHIBITORS OF YAP/TAZ-TEAD ONCOPROTEINS, SYNTHESIS AND USE THEREOF
  [FR] INHIBITEURS D'ONCOPROTÉINES YAP/TAZ-TEAD, LEUR SYNTHÈSE ET LEUR UTILISATION

  摘要：

  本文揭示了合成和使用针对转录增强因子TEF-1 (TEAD1)的共价抑制剂，可用于治疗胶质母细胞瘤、胃癌、结直肠癌、胰腺导管腺癌（PDAC）和恶性胸膜间皮瘤（MPM）等癌症。此外，本文还揭示了包括TEAD1抑制剂的药物组合物以及使用该药物组合物治疗癌症的方法。

  公开号：

  WO2022006548A1

文献信息

• 2-Aryl-acetic acids, their derivatives and pharmaceutical compositions containing them
  申请人：Moriconi Alessio

  公开号：US20060223842A1

  公开（公告）日：2006-10-05

  Selected 2-arylacetic acids, their derivatives and pharmaceutical compositions that contain these compounds are useful in inhibiting chemotactic activation of neutrophils (PMN leukocytes) induced by the interaction of Interleukin-8 (IL-8) with CXCR1 and CXCR2-membrane receptors. The compounds are used for the prevention and treatment of pathologies deriving from said activation. In particular, 2(ortho)-substituted arylacetic acids or their derivatives, such as amides and sulfonamides, lack cyclo-oxygenase inhibition activity and are particularly useful in the treatment of neutrophil-dependent pathologies such as psoriasis, ulcerative colitis, melanoma, chronic obstructive pulmonary disease (COPD), bullous pemphigoid, rheumatoid arthritis, idiopathic fibrosis, glomerulonephritis and in the prevention and treatment of damages caused by ischemia and reperfusion.

  选择的2-芳基乙酸及其衍生物和包含这些化合物的药物组合物对于抑制由白细胞介素-8（IL-8）与CXCR1和CXCR2膜受体相互作用引起的嗜中性粒细胞（PMN白细胞）趋化活化非常有用。这些化合物用于预防和治疗由该活化引起的病理。特别是2（邻）-取代芳基乙酸或其衍生物，例如酰胺和磺酰胺，缺乏环氧合酶抑制活性，特别适用于治疗嗜中性粒细胞依赖性病理，如银屑病、溃疡性结肠炎、黑色素瘤、慢性阻塞性肺疾病（COPD）、大疱性类天疱疮、类风湿性关节炎、特发性纤维化、肾小球肾炎以及缺血再灌注引起的损伤的预防和治疗。
• 2-ARYL-ACETIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  申请人：MORICONI Alessio

  公开号：US20110195967A1

  公开（公告）日：2011-08-11

  Selected 2-arylacetic acids, their derivatives and pharmaceutical compositions that contain these compounds are useful in inhibiting chemotactic activation of neutrophils (PMN leukocytes) induced by the interaction of Interleukin-8 (IL-8) with CXCR1 and CXCR2 membrane receptors. The compounds are used for the prevention and treatment of pathologies deriving from their activation. In particular, 2(ortho)-substituted arylacetic acids or their derivatives, such as amides and sulfonamides, lack cyclo-oxygenase inhibition activity and are particularly useful in the treatment of neutrophil-dependent pathologies such as psoriasis, ulcerative colitis, melanoma, chronic obstructive pulmonary disease (COPD), bullous pemphigoid, rheumatoid arthritis, idiopathic fibrosis, glomerulonephritis and in the prevention and treatment of damages caused by ischemia and reperfusion.

  选定的2-芳基乙酸及其衍生物和包含这些化合物的制药组合物可用于抑制由白细胞介素8（IL-8）与CXCR1和CXCR2膜受体相互作用引起的中性粒细胞（PMN白细胞）的趋化激活。这些化合物用于预防和治疗由其激活引起的病理状况。特别是2-（邻）取代芳基乙酸或其衍生物，如酰胺和磺酰胺，缺乏环氧化酶抑制活性，特别适用于治疗中性粒细胞依赖性病理状况，如银屑病，溃疡性结肠炎，黑色素瘤，慢性阻塞性肺疾病（COPD），大疱性天疱病，类风湿性关节炎，特发性纤维化，肾小球肾炎以及预防和治疗缺血再灌注引起的损伤。
• 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS
  申请人：Chelliah Mariappan V.

  公开号：US20120136016A1

  公开（公告）日：2012-05-31

  The present invention relates to novel heterocyclic compounds of Formulae (I): (Chemical formula should be inserted here as it appears on abstract in paper form) Formula (I) as disclosed herein, or a pharmaceutically acceptable salt, solvate, ester, prodrug or stereoisomer thereof. Also disclosed are pharmaceutical compositions comprising said compounds, and methods for using said compounds for treating or preventing a thromboembolic disorder.

  本发明涉及一种新的杂环化合物，其化学式为（I）：（化学式应按纸质摘要中的形式插入此处）如本文所述的化合物（I）或其药学上可接受的盐、溶剂合物、酯、前药或立体异构体。本文还揭示了包括所述化合物的制药组合物，以及使用所述化合物治疗或预防血栓栓塞性疾病的方法。
• [EN] 2-ARYL-ACETIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM<br/>[FR] ACIDES 2-ARYLACETIQUES, LEURS DERIVES ET DES COMPOSITIONS PHARMACEUTIQUES CONTENANT CES COMPOSES
  申请人：DOMPE SPA

  公开号：WO2004069782A3

  公开（公告）日：2004-09-16
• BROADSPECTRUM SUBSTITUTED BENZIMIDAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS
  申请人：Tibotec Pharmaceuticals

  公开号：EP1485358B1

  公开（公告）日：2011-02-02