2-[1-(4-氯苯甲酰基)-2-甲基吲哚-3-基]乙酸 | 16390-26-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 中文名称: 2-[1-(4-氯苯甲酰基)-2-甲基吲哚-3-基]乙酸
• 英文名称: 2-(1-(4-chlorobenzoyl)-2-methyl-1H-indol-3-yl)acetic acid
• 英文别名: 1-(4-chlorobenzoyl)-2-methylindole-3-acetic acid；indomethacin；Indometacin；[1-(4-chloro-benzoyl)-2-methyl-indol-3-yl]-acetic acid；[1-(4-chlorobenzoyl)-2-methyl-1H-indol-3-yl]acetic acid；1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-2-methyl-；2-[1-(4-chlorobenzoyl)-2-methylindol-3-yl]acetic acid
• CAS: 16390-26-4
• 化学式: C₁₈H₁₄ClNO₃
• 分子量: 327.767
• InChiKey: QDAPWMKWLVMBBU-UHFFFAOYSA-N

物化性质

• 沸点：
  468.1±45.0 °C(Predicted)
• 密度：
  1.32±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  59.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-[1-(4-氯苯甲酰基)-2-甲基吲哚-3-基]乙酸 在 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 生成 2-[1-(4-Chlorobenzoyl)-2-methylindol-3-yl]acetyl chloride
  参考文献：
  名称：

  Discovery of novel NSAID hybrids as cPLA2/COX-2 dual inhibitors alleviating rheumatoid arthritis via inhibiting p38 MAPK pathway

  摘要：

  DOI：

  10.1016/j.ejmech.2024.116176
• 作为产物：
  描述：

  乙醛苯腙 在 盐酸 作用下， 以 吡啶 、 甲醇 、 溶剂黄146 、 甲苯 为溶剂， 反应 9.0h， 生成 2-[1-(4-氯苯甲酰基)-2-甲基吲哚-3-基]乙酸
  参考文献：
  名称：

  Synthesis of indomethacin analogues for evaluation as modulators of MRP activity

  摘要：

  Synthesis of a range of indomethacin analogues, required for investigation in combination toxicity assays, bearing both N-benzyl and N-benzoyl groups, is described. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(00)00292-3

文献信息

• Well-Defined Noble Metal Single Sites in Zeolites as an Alternative to Catalysis by Insoluble Metal Salts
  作者：Paula Rubio-Marqués、Miguel A. Rivero-Crespo、Antonio Leyva-Pérez、Avelino Corma

  DOI：10.1021/jacs.5b07304

  日期：2015.9.16

  that the resting insoluble metal is catalytically useless. To circumvent this waste of precious metal and follow a rational design, we generate here well-dispersed Pt(II) and Pd(II) single sites on zeolite Y, with an exquisite control of the Lewis acidity, to catalyze different hydroaddition reactions to alkynes and alkenes with up to 10(4) catalytic cycles (at least 2 orders of magnitude superior to

  聚合形式的不溶性贵金属氯化物（即 PtCl2、PdCl2、AuCl、RhCl3）通常用作溶液中大量有机反应的催化剂。在这里，我们表明只有这些贵金属氯化物的少量可溶部分（通常为 5-30%）对炔烃和烯烃的加氢胺化、加氢烷氧基化、氢化硅烷化和环异构化具有催化活性，而其余的不溶性金属在催化上是无用的。为了避免这种贵金属的浪费并遵循合理的设计，我们在沸石 Y 上生成了分散良好的 Pt(II) 和 Pd(II) 单点，并巧妙地控制了路易斯酸度，
• 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。
• PHARMACEUTICAL COMPOSITION AND METHOD
  申请人：Slade Rachel M.

  公开号：US20090155903A1

  公开（公告）日：2009-06-18

  The invention provides compounds, pharmaceutical compositions and methods for the therapeutic treatment and prevention of neurodegenerative disorder and other Aβ 42 -related diseases and disorders.

  该发明提供了化合物、制药组合物和方法，用于治疗和预防神经退行性疾病和其他与Aβ42相关的疾病和障碍。
• [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