ethyl 3-<<(trifluoromethyl)-sulfonyl>oxy>pyridine-2-carboxylate | 164460-55-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: ethyl 3-<<(trifluoromethyl)-sulfonyl>oxy>pyridine-2-carboxylate
• 英文别名: 3-trifluoromethanesulfonyloxy-pyridine-2-carboxylic acid ethyl ester；ethyl 3-{[(trifluoromethyl)sulfonyl]oxy}pyridine-2-carboxylate；ethyl 3-(trifluoromethylsulfonyloxy)pyridine-2-carboxylate
• CAS: 164460-55-3
• 化学式: C₉H₈F₃NO₅S
• 分子量: 299.227
• InChiKey: XNBWTVJGOWNRFG-UHFFFAOYSA-N

物化性质

• 沸点：
  373.5±42.0 °C(Predicted)
• 密度：
  1.507±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  90.9
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  ethyl 3-<<(trifluoromethyl)-sulfonyl>oxy>pyridine-2-carboxylate 在 盐酸 、 sodium hydroxide 、 四(三苯基膦)钯 、 氯化亚砜 、 水 、 sodium hydride 、 sodium carbonate 、 对甲苯磺酸 作用下， 以 甲醇 为溶剂， 反应 20.5h， 生成 2-butyl-4-chloro-5-(hydroxymetyl)-1-<<1-(2-carboxypyridin-3-yl)-4-phenyl>methyl>-1H-imidazole
  参考文献：
  名称：

  Nonpeptide Angiotensin II Receptor Antagonists. Synthesis, in vitro Activity, and Molecular Modeling Studies of N-[(Heterobiaryl)methyl]imidazoles

  摘要：

  With the aim of explaining the influence of the structural changes on the biphenylic moiety on the activity, a series of N-[(heterobiaryl)methyl]imidazoles (I), constructed on the model of DuPont compounds by replacing either the central or terminal phenyl ring with a heteroaromatic one, such as furan, thiophene, thiazole, and pyridine, was synthesized. Compared to the reference DuPont compound (EXP-7711), all the heterobiaryl derivatives showed a reduced potency both in receptor binding (rat adrenal capsular membranes) and in the functional assay (angiotensin II-induced contraction of rabbit aorta strips). The lower activity was justified by the extensive molecular modeling studies, which took into consideration the conformational and electrostatic features of several heterobiaryl derivatives. On the basis of the results obtained, it was hypothesized that the central aromatic ring of the biarylic portion works as a spacer, orienting in the right way the terminal phenyl ring, whose electronic distribution is, instead, crucial to its fitting well with a lipophilic pocket at the receptor site.

  DOI：

  10.1021/jm00049a012
• 作为产物：
  描述：

  3-羟基吡啶甲酸乙酯 、 三氟甲磺酸酐 在 水 作用下， 以 吡啶 为溶剂， 反应 1.0h， 以99%的产率得到ethyl 3-<<(trifluoromethyl)-sulfonyl>oxy>pyridine-2-carboxylate
  参考文献：
  名称：

  Heteroarylaminopyrazole derivatives useful for the treatment of diabetes

  摘要：

  本发明涉及杂芳基氨基吡唑化合物、药物组合物以及用于治疗糖尿病和相关障碍的方法。

  公开号：

  US20050192294A1

文献信息

• Therapeutic Pyrrolidines
  申请人：Lanni Thomas Bruno

  公开号：US20090215857A1

  公开（公告）日：2009-08-27

  The present invention provides for compounds of Formula (I), and pharmaceutically acceptable salts thereof, wherein A, J, Z, and R 20 have any of the values defined therefore in the specification, and pharmaceutically acceptable salts thereof, that are useful as agents in the treatment of disorders and conditions including attention deficit hyperactivity disorder, neuropathic pain, urinary incontinence, generalized anxiety disorder, depression, schizophrenia, and fibromyalgia. Also provided are pharmaceutical compositions comprising one or more compounds of Formula (I) or pharmaceutically acceptable salts thereof.

  本发明提供了公式（I）的化合物及其药学上可接受的盐，其中A、J、Z和R20在规范中定义的任何值，以及其药学上可接受的盐，可用作治疗注意力缺陷多动障碍、神经病性疼痛、尿失禁、广泛性焦虑症、抑郁症、精神分裂症和纤维肌痛等疾病和症状的药物。还提供了包含一个或多个公式（I）的化合物或其药学上可接受的盐的制药组合物。
• HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES
  申请人：Rudolph Joachim

  公开号：US20090209451A1

  公开（公告）日：2009-08-20

  The present invention relates to heteroarylaminopyrazole compounds, pharmaceutical compositions, and methods for treating diabetes and related disorders.

  本发明涉及杂环氨基吡唑化合物、制药组合物以及治疗糖尿病和相关疾病的方法。
• WO2007/31828
  申请人：——

  公开号：——

  公开（公告）日：——
• EP1720863A4
  申请人：——

  公开号：EP1720863A4

  公开（公告）日：2009-04-22
• US7517878B2
  申请人：——

  公开号：US7517878B2

  公开（公告）日：2009-04-14