3-氟-4-(三氟甲基)苯丙酮 | 237761-78-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-氟-4-(三氟甲基)苯丙酮
• 中文别名: 3′-氟-4′-（三氟甲基）苯乙酮；3-氟-4-(三氟甲基)丙酮
• 英文名称: 3'-Fluoro-4'-(trifluoromethyl)propiophenone
• 英文别名: 1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one
• CAS: 237761-78-3
• 化学式: C₁₀H₈F₄O
• 分子量: 220.167
• InChiKey: FUSVMXQCFHNSHP-UHFFFAOYSA-N

物化性质

• 熔点：
  35-38°C
• 稳定性/保质期：

  避氧化物

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 安全说明：
  S26,S36
• 危险类别码：
  R36/37/38
• 海关编码：
  2914700090

反应信息

• 作为反应物：
  描述：

  3-氟-4-(三氟甲基)苯丙酮 在 palladium on activated charcoal 噻吩 、 氢气 作用下， 以 甲醇 、 xylene 为溶剂， 反应 6.0h， 生成 {[1-(3-Fluoro-4-trifluoromethyl-phenyl)-propyl]-formyl-amino}-acetic acid methyl ester
  参考文献：
  名称：

  2-Mercaptoimidazoles, a new class of potent CCR2 antagonists

  摘要：

  We describe the synthesis and SAR of a new class of CCR2 antagonists based on a 2-mercaptoimidazole scaffold. The initial lead 1a was optimized to the 3,4-disubstituted analogues 1p-(S) and 1q-(S), which have IC50 values in the MCP-1 induced Ca-flux below 0.01 muM. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.11.064

文献信息

• HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS
  申请人：Rodgers James D.

  公开号：US20110059951A1

  公开（公告）日：2011-03-10

  The present invention provides heterocyclic derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines, as well as their compositions and methods of use, that modulate the activity of Janus kinases (JAKs) and are useful in the treatment of diseases related to the activity of JAKs including, for example, inflammatory disorders, autoimmune disorders, cancer, and other diseases.

  本发明提供了吡唑-4-基-吡咯[2,3-d]嘧啶的杂环衍生物，以及它们的组合物和使用方法，可以调节Janus激酶（JAKs）的活性，并且在治疗与JAKs活性相关的疾病方面有用，例如炎症性疾病、自身免疫性疾病、癌症和其他疾病。
• SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK)
  申请人：Zhang Jing

  公开号：US20100316649A1

  公开（公告）日：2010-12-16

  This disclosure concerns compounds which are useful as inhibitors of spleen tyrosine kinase (Syk) and are thus useful for treating a variety of diseases and disorders that are mediated or sustained through the activity of Syk. This disclosure also relates to pharmaceutical compositions containing these compounds, methods of using these compounds in the treatment of various diseases and disorders, processes for preparing these compounds and intermediates useful in these processes.

  本公开涉及一些化合物，这些化合物可用作脾酪氨酸激酶（Syk）的抑制剂，因此对于治疗通过Syk的活动介导或维持的各种疾病和障碍非常有用。本公开还涉及含有这些化合物的药物组合物，使用这些化合物治疗各种疾病和障碍的方法，制备这些化合物的过程以及在这些过程中有用的中间体。
• α-Methylation at benzylic fragment of N-aryl-N′-benzyl ureas provides TRPV1 antagonists with better pharmacokinetic properties and higher efficacy in inflammatory pain model
  作者：Arthur Gomtsyan、Erol K. Bayburt、Ryan Keddy、Sean C. Turner、Tammie K. Jinkerson、Stanley Didomenico、Richard J. Perner、John R. Koenig、Irene Drizin、Heath A. McDonald、Carol S. Surowy、Prisca Honore、Joe Mikusa、Kennan C. Marsh、Jill M. Wetter、Connie R. Faltynek、Chih-Hung Lee

  DOI：10.1016/j.bmcl.2007.04.105

  日期：2007.7

  SAR studies for N-aryl-N '-benzyl urea class of TRPV1 antagonists have been extended to cover alpha-benzyl alkylation. Alkylated compounds showed weaker in vitro potencies in blocking capsaicin activation of TRPV1 receptor, but possessed improved pharmacokinetic properties. Further structural manipulations that included replacement of isoquinoline core with indazole and isolation of single enantiomer led to TRPV1 antagonists like (R)-16a with superior pharmacokinetic properties and greater potency in animal model of inflammatory pain. (C) 2007 Elsevier Ltd. All rights reserved.
• Pyrazole Compounds
  申请人：Hu Youhong

  公开号：US20130177529A1

  公开（公告）日：2013-07-11

  Aryl substituted pyrazole derivatives are provided, as well as processes for their preparation. The invention also provides compositions and methods for the treatment of HCV by administering a compound of the present invention, alone or in combination with additional antiviral agents, in a therapeutically effective amount.
• US7419978B2
  申请人：——

  公开号：US7419978B2

  公开（公告）日：2008-09-02