2,2,2-trifluoro-N-{2-[4-(trifluoromethyl)phenyl]ethyl}acetamide | 199678-28-9

• 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: 2,2,2-trifluoro-N-{2-[4-(trifluoromethyl)phenyl]ethyl}acetamide
• 英文别名: N-trifluoroacetyl-3-trifluoromethylphenyl-β-ethyl amine；2,2,2-trifluoro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
• CAS: 199678-28-9
• 化学式: C₁₁H₉F₆NO
• mdl: MFCD19689576
• 分子量: 285.189
• InChiKey: GVNYFAWTACKXNV-UHFFFAOYSA-N

物化性质

• 沸点：
  302.8±42.0 °C(Predicted)
• 密度：
  1.350±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  7

安全信息

• 储存条件：
  2-8℃

反应信息

• 作为反应物：
  描述：

  2,2,2-trifluoro-N-{2-[4-(trifluoromethyl)phenyl]ethyl}acetamide 在 N,N-二甲基甲酰胺 聚合甲醛 、 草酰氯 、 potassium carbonate 作用下， 以 乙醇 、 二氯甲烷 、 硫酸 、 水 、 溶剂黄146 为溶剂， 反应 35.66h， 生成
  参考文献：
  名称：

  Alkylamino, arylamino, and sulfonamido cyclopentyl amide modulators of chemokine receptor activity

  摘要：

  公式(I)的化合物是化学趋化因子受体活性调节剂，对预防或治疗某些炎症和免疫调节性疾病和疾病、过敏性疾病、包括过敏性鼻炎、皮炎、结膜炎和哮喘等特应性疾病，以及风湿性关节炎和动脉粥样硬化等自身免疫病理学，以及包含这些化合物的药物组合物，以及这些化合物和组合物在涉及化学趋化因子受体的疾病的预防或治疗中的用途。

  公开号：

  US20070117797A1
• 作为产物：
  描述：

  三氟乙酸酐 在 nickel/aluminium alloy 氨 、 氢气 作用下， 以 乙醇 、 水 为溶剂， 反应 17.0h， 以90%的产率得到2,2,2-trifluoro-N-{2-[4-(trifluoromethyl)phenyl]ethyl}acetamide
  参考文献：
  名称：

  [EN] HETEROCYCLIC CYCLOPENTYL TETRAHYDROISOQUINOLINE AND TETRAHYDROPYRIDOPYRIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY
  [FR] MODULATEURS TETRAHYDROISOQUINOLINE ET TETRAHYDROPYRIDOPYRIDINE CYCLOPENTYLES HETEROCYCLIQUES DE L'ACTIVITE DES RECEPTEURS DE CHIMIOKINE

  摘要：

  公开号：

  WO2004094371A3

文献信息

• [EN] AMINO HETEROCYCLIC MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY<br/>[FR] COMPOSES AMINO HETEROCYCLIQUES MODULATEURS DE L'ACTIVITE DES RECEPTEURS DE CHIMIOKINES
  申请人：MERCK & CO INC

  公开号：WO2005080371A1

  公开（公告）日：2005-09-01

  Compounds of Formula I and Formula II: (wherein n, R 1, R2, R3, R4, R5, R6, R7, R8, R9, R10, R15, R16, R17, R18, R19, R24, R25, R26, R27, R28, R29, R30, R33 R34, R35, R36, R37, R38, A, j, k, m, n, X, Y and Z are as defined herein) which are modulators of chemokine receptor activity and are useful in the prevention or treatment of certain inflammatory and immunoregulatory disorders and diseases, allergic diseases, atopic conditions including allergic rhinitis, dermatitis, conjunctivitis, and asthma, as well as autoimmune pathologies such as rheumatoid arthritis and atherosclerosis. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which chemokine receptors are involved.

  公式I和公式II的化合物（其中n、R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R15、R16、R17、R18、R19、R24、R25、R26、R27、R28、R29、R30、R33、R34、R35、R36、R37、R38、A、j、k、m、n、X、Y和Z按本说明书中定义）：这些化合物是趋化因子受体活性的调节剂，可用于预防或治疗某些炎症和免疫调节紊乱和疾病、过敏性疾病、变应性条件包括过敏性鼻炎、皮炎、结膜炎和哮喘，以及自身免疫病理学如类风湿性关节炎和动脉粥样硬化。本发明还涉及包含这些化合物的药物组合物以及这些化合物和组合物在预防或治疗涉及趋化因子受体的疾病中的用途。
• Heterocyclic cyclopentyl tetrahydroisoquinoline and tetrahydropyridopyridine modulators of chemokine receptor activity
  申请人：Butora Gabor

  公开号：US20080081803A1

  公开（公告）日：2008-04-03

  The present invention is directed to compounds of the formula I: Wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , X, n and the broken lines are as defined herein which are useful as modulators of chemokine receptor activity. In particular, these compounds are useful as modulators of the chemokine receptor CCR-2.

  本发明涉及以下式I的化合物： 其中R1、R2、R3、R4、R5、R6、R7、R8、R9、X、n和虚线如本文所定义，这些化合物可用作趋化因子受体活性的调节剂。特别地，这些化合物可用作趋化因子受体CCR-2的调节剂。
• [EN] AMINO CYCLOBUTYLAMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY<br/>[FR] MODULATEURS AMINO CYCLOBUTYLAMIDE DE L'ACTIVITE DU RECEPTEUR DE CHIMIOKINE
  申请人：MERCK & CO INC

  公开号：WO2004082682A1

  公开（公告）日：2004-09-30

  The present invention is directed to compounds of the formulas I and II : wherein R1, R2, R3, R4, R5, R6, R7, R8, R9, R10, R15, R16, R17, R18, R19, R25, R26, Y, Z, l, m, n and the broken lines are as defined herein which are useful as modulators of chemokine receptor activity. In particular, these compounds are useful as modulators of the chemokine receptor CCR-2.

  本发明涉及以下公式I和II的化合物：其中R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R15、R16、R17、R18、R19、R25、R26、Y、Z、l、m、n和虚线如本文所定义，这些化合物可用作趋化因子受体活性调节剂。特别地，这些化合物可用作趋化因子受体CCR-2的调节剂。
• 2,6-Disubstituted piperiddines as modulators
  申请人：Yang Lihu

  公开号：US20070179158A1

  公开（公告）日：2007-08-02

  The present invention is further directed to compounds of formula (I): wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , R 16 , R 17 , R 18 , R 19 , R 20 , R 21 and R 22 are as defined herein) which are modulators of chemokine receptor activity and are useful in the prevention or treatment of certain inflammatory and immunoregulatory disorders and diseases, allergic diseases, atopic conditions including allergic rhinitis, dermatitis, conjunctivitis, and asthma, as well as autoimmune pathologies such as rheumatoid arthritis and atherosclerosis. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which chemokine receptors are involved.

  本发明进一步涉及具有以下结构的化合物（I）：其中R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R16、R17、R18、R19、R20、R21和R22如本文所定义），这些化合物是趋化因子受体活性的调节剂，并且在预防或治疗某些炎症和免疫调节性疾病、过敏性疾病、包括过敏性鼻炎、皮炎、结膜炎和哮喘等特应性疾病，以及风湿性关节炎和动脉粥样硬化等自身免疫病理学方面是有用的。本发明还涉及包含这些化合物的药物组合物以及这些化合物和组合物在预防或治疗涉及趋化因子受体的疾病中的用途。
• 3-(4-Heteroarylcyclohexylamino)cyclopentanecarboxamides as modulators of chemokine receptors
  申请人：Xue Chu-Biao

  公开号：US20050267146A1

  公开（公告）日：2005-12-01

  The present invention is directed to compounds of Formula I: which are modulators of chemokine receptors. The compounds of the invention, and compositions thereof, are useful in the treatment of diseases related to chemokine receptor expression and/or activity.

  本发明涉及化合物的公式I：这些化合物是趋化因子受体的调节剂。本发明的化合物及其组合物在治疗与趋化因子受体表达和/或活性相关的疾病方面是有用的。