1-(4-chlorobenzoyl)-3-ethyl-5-methoxy-2-methylindole | 22789-46-4

• 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
• 英文名称: 1-(4-chlorobenzoyl)-3-ethyl-5-methoxy-2-methylindole
• 英文别名: (4-Chlorophenyl)-(3-ethyl-5-methoxy-2-methylindol-1-yl)methanone
• CAS: 22789-46-4
• 化学式: C₁₉H₁₈ClNO₂
• 分子量: 327.81
• InChiKey: SFWPKKAWFSDSPB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  31.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (4-chlorophenyl)(3-(2-hydroxyethyl)-5-methoxy-2-methyl-1H-indol-1-yl)methanone 在 N'-异丙亚基-2-硝基苯磺酰 、 三苯基膦 、 偶氮二甲酸二乙酯 、 苯肼 作用下， 以 四氢呋喃 为溶剂， 反应 4.58h， 以89%的产率得到1-(4-chlorobenzoyl)-3-ethyl-5-methoxy-2-methylindole
  参考文献：
  名称：

  N-Isopropylidene-N‘-2-nitrobenzenesulfonyl Hydrazine, a Reagent for Reduction of Alcohols via the Corresponding Monoalkyl Diazenes

  摘要：

  The reagent N-isopropylidene-N'-2-nitrobenzenesulfonyl hydrazine (IPNBSH) is used in the reduction of alcohols via the loss of dinitrogen from transiently formed monoalkyl diazene intermediates accessed by sequential Mitsunobu displacement, hydrolysis, and fragmentation under mild reaction conditions.

  DOI：

  10.1021/jo062325p

文献信息

• Aryl (Ethanoic) Propanoic Acid Ascorbyl Ester, Preparation Method Thereof And Medicament Containing The Same
  申请人：Tang Luhong

  公开号：US20120115897A1

  公开（公告）日：2012-05-10

  The present invention designs and synthesizes the ascorbyl ester derivatives of the aryl (ethanoic) propanoic acid non-steroidal anti-inflammatory medicaments, such as ibuprofen, ketoprofen and naproxen, and addition salt of the derivatives with pharmaceutical acid or pharmaceutical alkaline. The non-steroidal anti-inflammatory medicament which takes the ibuprofen as the representative is a common antipyretic analgesic medicament. The invention has remarkable antipyretic and analgesic effects and good safety except for anti-inflammatory effect, thus being not only suitable for adults, but also suitable for the elderly people, infants and children. The aryl (ethanoic) propanoic acid ascorbyl ester can be converted into ascorbyl ester derivatives and the addition salts of the derivatives with pharmaceutical acid or pharmaceutical alkaline, which can improve the water solubility thereof, facilitate intravenously administration, reduce the onset time, improve the bioavailability, reduce the stimulation effect to gastrointestinal tract, and enhance the penetrating capacity to hemato encephalic barrier, and can be used as a novel medicament to be applied for antiphlogistic, antipyresis, analgesia, treatment of arthritis, dysmenorrheal, multiple sclerosis, pneumonia cystic fibrosis and patent ductus arteriosus of premature infants, and prevention and treatment of cerebral apoplexy, hypoxic-ischemic brain damage, senile dementia and certain cancers.

  本发明设计并合成了芳基（乙酸）丙酸非甾体抗炎药物，例如布洛芬、酮洛芬和萘普生的抗坏血酸酯衍生物，以及这些衍生物与药用酸或药用碱的加成盐。以布洛芬为代表的非甾体抗炎药是一种常见的解热镇痛药。本发明除了具有抗炎效果外，还具有显著的解热和镇痛效果，安全性良好，因此不仅适用于成人，也适用于老年人、婴幼儿。芳基（乙酸）丙酸抗坏血酸酯可转化为抗坏血酸酯衍生物以及这些衍生物与药用酸或药用碱的加成盐，这可以提高其水溶性，便于静脉给药，减少起效时间，提高生物利用度，减少对胃肠道的刺激作用，增强穿透血脑屏障的能力，并可作为新型药物应用于消炎、解热、镇痛、治疗关节炎、痛经、多发性硬化症、肺炎、囊性纤维化和早产儿动脉导管未闭，以及预防和治疗脑卒中、缺氧缺血性脑损伤、老年痴呆症和某些癌症。
• PHOSPHO-ESTER DERIVATIVES AND USES THEREOF
  申请人：RIGAS Basil

  公开号：US20130225529A1

  公开（公告）日：2013-08-29

  Phospho-ester compounds and pharmaceutical compositions thereof administered by the respiratory and other routes for the prevention and/or treatment of lung and brain cancer and precancerous conditions thereof, for the treatment of pain, for the treatment of skin disorders, for treating and/or preventing inflammation-related diseases, and for the treatment and prevention of cancer.

  磷酸酯化合物及其制剂可通过呼吸道及其他途径用于预防和/或治疗肺癌和脑癌及其癌前病变条件，用于疼痛治疗，用于皮肤疾病治疗，用于治疗和/或预防与炎症相关的疾病，以及用于癌症的治疗和预防。
• ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS
  申请人：Cannizzaro Carina

  公开号：US20090247488A1

  公开（公告）日：2009-10-01

  The invention is related to phosphorus substituted anti-inflammatory compounds, compositions containing such compounds, and therapeutic methods that include the administration of such compounds, as well as to processes and intermediates useful for preparing such compounds.

  本发明涉及磷取代的抗炎化合物、含有这种化合物的组合物、包括给药这种化合物的治疗方法，以及用于制备这种化合物的有用过程和中间体。
• METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2
  申请人：Marnett Lawrence J.

  公开号：US20100254910A1

  公开（公告）日：2010-10-07

  The presently disclosed subject matter provides compositions that selectively bind cyclooxygenase-2 and comprise a therapeutic and/or diagnostic moiety. Also provided are methods for using the disclosed compositions for diagnosing (i.e., by imaging) a target cell and/or treating a disorder associated with a cyclooxygenase-2 biological activity.

  目前所披露的主题提供了选择性结合环氧合酶-2并包含治疗和/或诊断基团的组合物。还提供了使用所披露的组合物进行诊断（即通过成像）靶细胞和/或治疗与环氧合酶-2生物活性相关的疾病的方法。
• FATTY ACID COX INHIBITOR DERIVATIVES AND THEIR USES
  申请人：Catabasis Pharmaceuticals, Inc.

  公开号：US20160106712A1

  公开（公告）日：2016-04-21

  The invention relates to fatty acid COX inhibitor derivatives; compositions comprising an effective amount of a fatty acid COX inhibitor derivative; and methods for treating or preventing a metabolic, autoimmune inflammatory, or neurodegenerative disorder comprising the administration of an effective amount of a fatty acid COX inhibitor derivative.

  本发明涉及脂肪酸COX抑制剂衍生物；包含有效量的脂肪酸COX抑制剂衍生物的组合物；以及治疗或预防代谢性、自身免疫性炎症或神经退行性疾病的方法，包括给予有效量的脂肪酸COX抑制剂衍生物。