N-(2-methyl-3-(trifluoromethyl)phenyl)acetamide | 546434-38-2

• 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: N-(2-methyl-3-(trifluoromethyl)phenyl)acetamide
• 英文别名: N-[2-methyl-3-(trifluoromethyl)phenyl]acetamide
• CAS: 546434-38-2
• 化学式: C₁₀H₁₀F₃NO
• 分子量: 217.191
• InChiKey: MRTKJJQAUKPCGO-UHFFFAOYSA-N

物化性质

• 沸点：
  281.5±40.0 °C(Predicted)
• 密度：
  1.260±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-(2-methyl-3-(trifluoromethyl)phenyl)acetamide 在 溴 作用下， 生成 N-[4-bromo-2-methyl-3-(trifluoromethyl)phenyl]acetamide
  参考文献：
  名称：

  Tandem optimization of target activity and elimination of mutagenic potential in a potent series of N-aryl bicyclic hydantoin-based selective androgen receptor modulators

  摘要：

  Pharmacokinctic studies in cynomolgus monkeys with a novel prototype selective androgen receptor modulator revealed trace amounts of an aniline fragment released through hydrolytic metabolism. This aniline fragment was determined to be mutagenic in an Ames assay. subsequent concurrent optimization for target activity and avoidance of mutagenicity led to the identification of a pharmacologically superior clinical candidate without mutagenic potential. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.01.076
• 作为产物：
  描述：

  2-甲基-3-三氟甲基苯胺 、 乙酸酐 以 二氯甲烷 为溶剂， 生成 N-(2-methyl-3-(trifluoromethyl)phenyl)acetamide
  参考文献：
  名称：

  钯催化电氧化双 C–H 芳基化

  摘要：

  电化学过渡金属催化的交叉脱氢反应已成为实现可持续且原子经济的有机合成的有前景的平台，可避免危险的氧化剂并最大限度地减少不需要的副产物和迂回的官能团操作。然而，对机制的认识不足仍然阻碍了这一策略的广泛采用。在这方面，我们在此提出了一种电化学钯催化的氧化偶联策略，以在没有化学计量的化学氧化剂的情况下获得联芳基。强大的钯电催化作用大大抑制了自偶联和氧化的发生，甚至与缺电子芳烃兼容。后期功能化和啶酰菌胺前体合成进一步凸显了我们电解的实际重要性。值得注意的是，机理研究包括通过可变时间归一化分析（VTNA）和初始速率分析评估每个组分的反应级数、H/D交换实验、动力学同位素效应和化学计量有机金属实验，为参与之间的金属转移提供了强有力的支持。周转限制步骤中的两种有机钯配合物。因此，匹配两种不同有机钯中间体的浓度或寿命被认为是电氧化催化成功的关键。此外，阳离子铜(II)的存在似乎有助于钯(0)催化剂的稳定，而不是在催化剂的氧化中发挥作用。

  DOI：

  10.1021/jacs.3c08479

文献信息

• Substituted azepino[4,5b] indoline derivatives
  申请人：——

  公开号：US20020077318A1

  公开（公告）日：2002-06-20

  The invention provides compounds of Formula (I): 1 wherein R 1 -R 4 , p and q have any of the values described in the specification, as well as pharmaceutical salts thereof, and pharmaceutical compositions containing such compounds or salts. The compounds and salts are 5-HT ligands and are useful for treating diseases, disorders, and/or conditions in a mammal wherein activity of a 5-HT receptor is implicated. The compounds and salts are particularly useful for treating diseases of the central nervous system.

  该发明提供了Formula (I)的化合物： 其中R1-R4，p和q的取值如规范中描述的任何值，以及其药用盐，以及含有这种化合物或盐的药用组合物。这些化合物和盐是5-HT配体，对于治疗哺乳动物中涉及5-HT受体活性的疾病、紊乱和/或症状是有用的。这些化合物和盐特别适用于治疗中枢神经系统疾病。
• Substituted azepino[4,5b]indole derivatives
  申请人：Pharmacia & UpJohn Company

  公开号：US20030220321A1

  公开（公告）日：2003-11-27

  Disclosed are compounds of Formula (I): 1 wherein R 1 -R 4 , p and q have any of the values described in the specification, as well as pharmaceutical salts thereof, and pharmaceutical compositions containing such compounds or salts. The compounds and salts are 5-HT ligands and are useful for treating diseases, disorders, and/or conditions in a mammal wherein activity of a 5-HT receptor is implicated. The compounds and salts are particularly useful for treating diseases of the central nervous system.

  本发明涉及公式（I）的化合物：其中R1-R4，p和q的任何值均如说明书所述，以及其制备的药物盐和包含这些化合物或盐的药物组合物。这些化合物和盐是5-HT配体，并且对于治疗哺乳动物中涉及5-HT受体活性的疾病，障碍和/或状况非常有用。这些化合物和盐特别适用于治疗中枢神经系统疾病。
• Substituted azepino[4,5b]indoline derivatives
  申请人：Pharmacia & UpJohn Company

  公开号：US20030225058A1

  公开（公告）日：2003-12-04

  The invention provides compounds of Formula (I): 1 wherein R 1 -R 4 , p and q have any of the values described in the specification, as well as pharmaceutical salts thereof, and pharmaceutical compositions containing such compounds or salts. The compounds and salts are 5-HT ligands and are useful for treating diseases, disorders, and/or conditions in a mammal wherein activity of a 5-HT receptor is implicated. The compounds and salts are particularly useful for treating diseases of the central nervous system.

  本发明提供了公式(I)的化合物：1其中R1-R4，p和q具有规范中描述的任何值，以及其药物盐，以及包含该类化合物或盐的药物组合物。这些化合物和盐是5-HT配体，可用于治疗哺乳动物中涉及5-HT受体活性的疾病，紊乱和/或病况。这些化合物和盐特别适用于治疗中枢神经系统疾病。
• AMIDE COMPOUND
  申请人：Nozawa Eisuke

  公开号：US20110144153A1

  公开（公告）日：2011-06-16

  [Problems] A compound, which is useful as an active ingredient of a pharmaceutical composition, for example, a pharmaceutical composition for treating chronic renal failure and/or diabetic nephropathy, is provided. [Solving Means] The present inventors have conducted extensive studies on a compound having an EP4 receptor antagonistic activity, and confirmed that the amide compound of the present invention has an EP4 receptor antagonistic activity, thereby completing the present invention. The amide compound of the present invention has an EP4 receptor antagonistic activity, and can be used as an active ingredient of a pharmaceutical composition for preventing and/or treating various EP4-related diseases, for example, chronic renal failure and/or diabetic nephropathy, and the like.

  【问题】提供一种化合物，该化合物可用作药物组合物的活性成分，例如用于治疗慢性肾衰竭和/或糖尿病肾病的药物组合物。 【解决方法】本发明人对具有EP4受体拮抗活性的化合物进行了广泛的研究，并确认本发明的酰胺化合物具有EP4受体拮抗活性，从而完成了本发明。本发明的酰胺化合物具有EP4受体拮抗活性，可用作预防和/或治疗各种EP4相关疾病的药物组合物的活性成分，例如慢性肾衰竭和/或糖尿病肾病等。
• Amide compound
  申请人：Nozawa Eisuke

  公开号：US08598355B2

  公开（公告）日：2013-12-03

  [Problems] A compound, which is useful as an active ingredient of a pharmaceutical composition, for example, a pharmaceutical composition for treating chronic renal failure and/or diabetic nephropathy, is provided. [Solving Means] The present inventors have conducted extensive studies on a compound having an EP4 receptor antagonistic activity, and confirmed that the amide compound of the present invention has an EP4 receptor antagonistic activity, thereby completing the present invention. The amide compound of the present invention has an EP4 receptor antagonistic activity, and can be used as an active ingredient of a pharmaceutical composition for preventing and/or treating various EP4-related diseases, for example, chronic renal failure and/or diabetic nephropathy, and the like.

  【问题】提供一种化合物，该化合物可用作药物组合物的活性成分，例如用于治疗慢性肾功能衰竭和/或糖尿病肾病的药物组合物。 【解决方法】本发明人对具有EP4受体拮抗活性的化合物进行了广泛的研究，并确认本发明的酰胺化合物具有EP4受体拮抗活性，从而完成了本发明。本发明的酰胺化合物具有EP4受体拮抗活性，可用作预防和/或治疗各种与EP4相关的疾病的药物组合物的活性成分，例如慢性肾功能衰竭和/或糖尿病肾病等。