4,4,4-三氟-1-(3-甲基噻吩-2-基)丁烷-1,3-二酮 | 319-56-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4,4,4-三氟-1-(3-甲基噻吩-2-基)丁烷-1,3-二酮
• 英文名称: 4,4,4-trifluoro-1-(3-methyl-[2]thienyl)-butane-1,3-dione
• 英文别名: 4,4,4-Trifluor-1-(3-methyl-[2]thienyl)-butan-1,3-dion；4,4,4-trifluoro-1-(3-methyl-thiophen-2-yl)-butane-1,3-dione；4,4,4-Trifluoro-1-(3-methylthiophen-2-yl)butane-1,3-dione
• CAS: 319-56-2
• 化学式: C₉H₇F₃O₂S
• 分子量: 236.215
• InChiKey: RHTCJUAECVTPAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  62.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4,4,4-三氟-1-(3-甲基噻吩-2-基)丁烷-1,3-二酮 在 正丁基锂 、 溶剂黄146 作用下， 以 四氢呋喃 、 乙醇 、 正己烷 为溶剂， 反应 13.0h， 生成 ethyl 4-methyl-5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)thiophene-2-carboxylate
  参考文献：
  名称：

  Novel potent and selective calcium-release-activated calcium (CRAC) channel inhibitors. Part 2: Synthesis and inhibitory activity of aryl-3-trifluoromethylpyrazoles

  摘要：

  To identify potent and selective calcium-release-activated calcium (CRAG) channel inhibitors, we examined the structure-activity relationships of the pyrazole and thiophene moieties in compound 4. Compound 25b was found to exhibit highly potent and selective inhibitory activity for CRAC channels and further modifications of the pyrazole and benzoyl moieties of compound 25b produced compound 29. These compounds were potent inhibitors of IL-2 production in vitro and also acted as inhibitors in pharmacological models of diseases resulting from T-lymphocyte activation, after oral administration. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.03.039
• 作为产物：
  描述：

  三氟乙酸乙酯 、 alkaline earth salt of/the/ methylsulfuric acid 在 乙醚 、 sodium methylate 作用下， 生成 4,4,4-三氟-1-(3-甲基噻吩-2-基)丁烷-1,3-二酮
  参考文献：
  名称：

  The Synthesis of Certain Beta-Diketones Containing Perfluoromethyl and Perfluoro-n-propyl Groups

  摘要：

  DOI：

  10.1021/ja01154a037

文献信息

• [EN] SUBSTITUTED THIENYL-HYDROXAMIC ACIDS AS HISTONE DEACETYLASE INHIBITORS<br/>[FR] ACIDES SUBSTITUES THIENYLHYDROXAMIQUES UTILISES EN TANT QU'INHIBITEURS D'HISTONE DESACETYLASE
  申请人：ARGENTA DISCOVERY LTD

  公开号：WO2004013130A1

  公开（公告）日：2004-02-12

  A compound of formula (I): which can be used in the treatment of diseases associated with histone deacetylase enzymatic activity.

  化合物的化学式（I）：可用于治疗与组蛋白去乙酰化酶活性相关的疾病。
• Substituted thienyl-hydroxamic acids as histone deacetylase inhibitors
  申请人：Archer Ann Janet

  公开号：US20060122234A1

  公开（公告）日：2006-06-08

  A compound of formula (I): which can be used in the treatment of diseases associated with histone deacetylase enzymatic activity.

  一种式（I）化合物：可用于治疗与组蛋白去乙酰化酶酶活性有关的疾病。
• SUBSTITUTED THIENYL-HYDROXAMIC ACIDS AS HISTONE DEACETYLASE INHIBITORS
  申请人：Argenta Discovery Limited

  公开号：EP1525199A1

  公开（公告）日：2005-04-27
• Light emitting device and lighting device using it, image display unit
  申请人：Yabe Akiko

  公开号：US20070132366A1

  公开（公告）日：2007-06-14

  An object of the present invention is to provide a light emitting device which is high in emission intensity and stable, that is to say, a light emitting device in which when an LED or LD having an emission peak at 380 nm to 410 nm is used as an excitation light source of the light emitting device, the emission intensity of a red phosphor does not largely change to some deviation of the emission wavelength of the LED or LD to maintain not only brightness but also a balance at the time when mixed with a blue and green phosphors. The present invention relates to a light emitting device characterized in that the device comprises a phosphor which has Eu 3+ as a luminescent center ion, in which a minimum emission intensity within the excitation wavelength range of 380 nm to 410 nm in an excitation spectrum is 65% or more of a maximum emission intensity, and which has an emission efficiency at 400 nm of 20% or more, and a semiconductor light emitting element which emits light in the region from near-ultraviolet light to visible light.
• Novel potent and selective calcium-release-activated calcium (CRAC) channel inhibitors. Part 2: Synthesis and inhibitory activity of aryl-3-trifluoromethylpyrazoles
  作者：Yasuhiro Yonetoku、Hirokazu Kubota、Yoshinori Okamoto、Jun Ishikawa、Makoto Takeuchi、Mitsuaki Ohta、Shin-ichi Tsukamoto

  DOI：10.1016/j.bmc.2006.03.039

  日期：2006.8

  To identify potent and selective calcium-release-activated calcium (CRAG) channel inhibitors, we examined the structure-activity relationships of the pyrazole and thiophene moieties in compound 4. Compound 25b was found to exhibit highly potent and selective inhibitory activity for CRAC channels and further modifications of the pyrazole and benzoyl moieties of compound 25b produced compound 29. These compounds were potent inhibitors of IL-2 production in vitro and also acted as inhibitors in pharmacological models of diseases resulting from T-lymphocyte activation, after oral administration. (c) 2006 Elsevier Ltd. All rights reserved.