2-methyl-N-(3-(trifluoromethyl)phenyl)aniline | 1148035-01-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-methyl-N-(3-(trifluoromethyl)phenyl)aniline
• 英文别名: 2-Methyl-3'-(trifluoromethyl)diphenylamine；2-methyl-N-[3-(trifluoromethyl)phenyl]aniline
• CAS: 1148035-01-1
• 化学式: C₁₄H₁₂F₃N
• 分子量: 251.251
• InChiKey: QLQBQZHZRJYQNR-UHFFFAOYSA-N

物化性质

• 沸点：
  301.8±42.0 °C(predicted)
• 密度：
  1.224±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-methyl-N-(3-(trifluoromethyl)phenyl)aniline 、 苯甲酰氯 在 吡啶 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以75%的产率得到N-o-tolyl-N-(3-(trifluoromethyl)phenyl)benzamide
  参考文献：
  名称：

  1,2-二取代的吲哚的无过渡金属合成

  摘要：

  提出了一种新的耐用的无过渡金属的方法，由易于获得的叔酰胺合成1,2-二取代的吲哚。该方法可以直接从仲胺以一锅两步的方式进行。机理研究表明，酰基转移可能是反应过程中的重要一步。还证明了所提出的方法对于苯并呋喃和苯并噻吩合成的可行性。

  DOI：

  10.1002/ejoc.201900772
• 作为产物：
  描述：

  2-碘代甲苯 、 间氨基三氟甲苯 在 2-(二环己基膦)3,6-二甲氧基-2′,4′,6′-三异丙基-1,1′-联苯 、 chloro[2-(dicyclohexylphosphino)-3,6-dimethoxy-2',4',6'-triisopropyl-1,1'-biphenyl][2-(2-aminoethyl)phenyl]palladium(ll) 、 sodium t-butanolate 作用下， 以 甲苯 为溶剂， 以87%的产率得到2-methyl-N-(3-(trifluoromethyl)phenyl)aniline
  参考文献：
  名称：

  Fors, Brett P.; Davis, Nicole R.; Buchwald, Stephen L., Journal of the American Chemical Society, 2009, vol. 131, p. 5766 - 5768

  摘要：

  DOI：

文献信息

• COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION
  申请人：KANDULA Mahesh

  公开号：US20150148306A1

  公开（公告）日：2015-05-28

  The invention relates to the compounds of formula I or its pharmaceutical acceptable salts, as well as polymorphs, solvates, enantiomers, stereoisomers and hydrates thereof. The pharmaceutical compositions comprising an effective amount of compounds of formula I, and methods for the treatment of inflammation may be formulated for oral, buccal, rectal, topical, transdermal, transmucosal, intravenous, parenteral administration, syrup, or injection. Such compositions may be used to treatment of Type II diabetes, Type I diabetes, insulin resistance, cardiovascular disease, arrhythmia, atherosclerosis, coronary artery disease, hypertriglyceridemia, dyslipidemia, retinopathy, nephropathy, neuropathy, macular adema, arthritis, osteoarthritis, rheumatoid arthritis, inflammatory bowel syndrome, neudegeneration, Alzheimer's disease, Huntington's disease, Ulcerative colitis, Crohn's disease, Multiple Sclerosis, muscular dystropthy, metabolic syndrome, fatty liver, bone diseases, inflammatory diseases.

  该发明涉及公式I的化合物或其药用可接受的盐，以及其多晶形、溶剂合物、对映体、立体异构体和水合物。包括有效量的公式I化合物的药物组合物，以及用于治疗炎症的方法可以制成口服、颊部、直肠、局部、经皮、经粘膜、静脉、肠内、糖浆或注射剂。这些组合物可用于治疗II型糖尿病、I型糖尿病、胰岛素抵抗、心血管疾病、心律失常、动脉粥样硬化、冠状动脉疾病、高三酰甘油血症、脂质代谢异常、视网膜病变、肾病、神经病变、黄斑水肿、关节炎、骨关节炎、类风湿性关节炎、炎症性肠病、神经退行性疾病、阿尔茨海默病、亨廷顿病、溃疡性结肠炎、克罗恩病、多发性硬化症、肌肉萎缩症、代谢综合征、脂肪肝、骨疾病、炎症性疾病的治疗。
• NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE
  申请人：EARL Richard A.

  公开号：US20100093671A1

  公开（公告）日：2010-04-15

  The invention describes novel nitrosated nonsteroidal antiinflammatory drugs (NSAIDs) and pharmaceutically acceptable salts thereof, and novel compositions comprising at least one nitrosated NSAID, and, optionally, at least one compound that donates, transfers or releases nitric oxide, stimulates endogenous synthesis of nitric oxide, elevates endogenous levels of endothelium-derived relaxing factor or is a substrate for nitric oxide synthase, and/or at least one therapeutic agent. The invention also provides novel compositions comprising at least one nitrosated NSAID, and at least one compound that donates, transfers or releases nitric oxide, elevates endogenous levels of endothelium-derived relaxing factor, stimulates endogenous synthesis of nitric oxide or is a substrate for nitric oxide synthase and/or at least one therapeutic agent. The invention also provides novel kits comprising at least one nitrosated NSAID, and, optionally, at least one nitric oxide donor and/or at least one therapeutic agent. The invention also provides methods for treating inflammation, pain and fever; for treating gastrointestinal disorders; for facilitating wound healing; for treating and/or preventing gastrointestinal, renal and/or respiratory toxicities resulting from the use of nonsteroidal antiinflammatory compounds; for treating inflammatory disease states and/or disorders; and for treating and/or preventing ophthalmic diseases and/or disorders.

  该发明描述了新型亚硝酰化非甾体抗炎药（NSAIDs）及其药学上可接受的盐，并且描述了至少包含一种亚硝酰化NSAID和可选的至少一种化合物的新型组合物，该化合物捐赠、转移或释放一氧化氮，刺激内源性一氧化氮的合成，提高内源性内皮源性松弛因子的水平或是一氧化氮合酶的底物，并/或至少包含一种治疗剂。该发明还提供了至少包含一种亚硝酰化NSAID和至少一种化合物的新型组合物，该化合物捐赠、转移或释放一氧化氮，提高内源性内皮源性松弛因子的水平，刺激内源性一氧化氮的合成或是一氧化氮合酶的底物，并/或至少包含一种治疗剂。该发明还提供了至少包含一种亚硝酰化NSAID，可选的至少一种一氧化氮供体和/或至少一种治疗剂的新型试剂盒。该发明还提供了治疗炎症、疼痛和发热的方法；治疗胃肠道疾病的方法；促进伤口愈合的方法；治疗和/或预防使用非甾体抗炎化合物导致的胃肠道、肾脏和/或呼吸道毒性的方法；治疗炎症性疾病状态和/或疾病的方法；以及治疗和/或预防眼科疾病和/或疾病的方法。
• MANUFACTURING PROCESS FOR NO-DONATING COMPOUNDS SUCH AS NO-DONATING DICLOFENAC
  申请人：ANDERSSON Johan

  公开号：US20090170934A1

  公开（公告）日：2009-07-02

  The present invention relates to a new process for the preparation of NO-donating compounds using a sulfonated intermediate. The invention relates to new intermediates prepared therein suitable for large scale manufacturing of NO-donating compounds. The invention further relates to the use of the new intermediates for the manufacturing of pharmaceutically active NO-donating compounds. The invention further relates to a substantially crystalline form of NO-donating NSAIDs, especially 2-[2-(nitrooxy)ethoxy]ethyl 2-[(2,6-dichlorophenyl)amino]phenyl}acetate, the preparation thereof and to pharmaceutical formulations containing said crystalline form and to the use of said crystalline form in the preparation of a medicament.

  本发明涉及一种使用磺化中间体制备NO供体化合物的新工艺。该发明涉及其中制备的适用于NO供体化合物大规模生产的新中间体。本发明还涉及使用新中间体制造药用活性NO供体化合物。此外，本发明还涉及NO供体NSAIDs的实质晶体形式，特别是2-[2-(硝氧基)乙氧基]乙基2-[(2,6-二氯苯基)氨基]苯基}乙酸酯的制备，以及含有该晶体形式的制药配方和在制备药物时使用该晶体形式的用途。
• 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。
• ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE
  申请人：Garvey David S.

  公开号：US20090048219A1

  公开（公告）日：2009-02-19

  The invention describes novel organic nitric oxide enhancing salts of nonsteroidal antiinflammatory drugs (NSAIDs) and novel compositions comprising at least one organic nitric oxide enhancing salt of an NSAID, and, optionally, at least one nitric oxide enhancing compound and/or at least one therapeutic agent. The invention also provides novel compositions and kits comprising at least one organic nitric oxide enhancing salt of an NSAID, and, optionally, at least one nitric oxide enhancing compound and/or at least one therapeutic agent. The invention also provides methods for (a) treating inflammation, pain and fever; (b) treating gastrointestinal disorders; (c) facilitating wound healing; (d) treating gastrointestinal, renal and/or respiratory toxicities resulting from the use of nonsteroidal antiinflammatory compounds; (e) treating inflammatory disease states and/or disorders; (f) treating ophthalmic disorders; (h) treating peripheral vascular diseases; (i) treating diseases resulting from oxidative stress; (j) treating endothelial dysfunctions; and (k) treating diseases caused by endothelial dysfunctions. The organic nitric oxide enhancing compounds that form salts with the NSAIDs are organic nitrates, organic nitrites, nitrosothiols, thionitrites, thionitrates, NONOates, heterocyclic nitric oxide donors and/or nitroxides. The heterocyclic nitric oxide donors are furoxans, sydnonimines, oxatriazole-5-ones and/or oxatriazole-5-imines.