methyl 2-{5-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}pyrimidine-5-carboxylate | 1020658-58-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: methyl 2-{5-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}pyrimidine-5-carboxylate
• 英文别名: methyl 2-[5-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrimidine-5-carboxylate
• CAS: 1020658-58-5
• 化学式: C₁₉H₁₇BrFN₅O₃S
• 分子量: 494.344
• InChiKey: WIQWKIOTYXGXFK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  119
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  methyl 2-{5-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}pyrimidine-5-carboxylate 在 sodium hydroxide 、 水 、 盐酸 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 0.17h， 生成 2-{5-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}pyrimidine-5-carboxylic acid
  参考文献：
  名称：

  WO2008/46226

  摘要：

  公开号：
• 作为产物：
  描述：

  5-[4-(2-溴-5-氟苯氧基)哌啶-1-基]-1,3,4-噻二唑-2-甲腈 、 sodium 2-(dimethoxymethyl)-3-methoxy-3-oxoprop-1-en-1-olate 在 lithium hexamethyldisilazane 、 吡啶盐酸盐 作用下， 以 hexanes 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.75h， 生成 methyl 2-{5-[4-(2-bromo-5-fluorophenoxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}pyrimidine-5-carboxylate
  参考文献：
  名称：

  WO2008/46226

  摘要：

  公开号：

文献信息

• AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE
  申请人：Oballa Renata M.

  公开号：US20100004245A1

  公开（公告）日：2010-01-07

  Azacycloalkane derivatives of structural formula (I) are selective inhibitors of stearoyl-coenzyme A delta-9 desaturase (SCD1) relative to other known stearoyl-coenzyme A desaturases. The compounds of the present invention are useful for the prevention and treatment of conditions related to abnormal lipid synthesis and metabolism, including cardiovascular disease, such as atherosclerosis; obesity; diabetes; neurological disease; metabolic syndrome; insulin resistance; and liver steatosis.

  结构式（I）的Azacycloalkane衍生物是选择性抑制stearoyl-coenzyme A delta-9去饱和酶（SCD1）相对于其他已知的stearoyl-coenzyme A去饱和酶的化合物。本发明的化合物对于预防和治疗与异常脂质合成和代谢有关的疾病非常有用，包括心血管疾病，如动脉粥样硬化；肥胖症；糖尿病；神经系统疾病；代谢综合征；胰岛素抵抗和肝脂肪变性。
• Libraries of oligomers labeled with different tags
  申请人：Southern Edwin Mellor

  公开号：US20090029866A1

  公开（公告）日：2009-01-29

  A method of making a set of labelled compounds by the use of a preferably particulate support, comprises dividing the support into lots, performing a different chemical reaction on each lot of the support, e.g. to couple a chemical moiety to that lot of the support, tagging a fraction of each lot of the support with a different label, and combining the said lots of the support. The steps are repeated several times, preferably to build up oligomer molecules carrying labels which identify the nature and position of a monomer unit of the oligomer, and which are releasable from the support. Preferred labels, which are releasable from the compounds by cleavage to provide charged groups for analysis by mass spectrometry, are groups of the trityl (trimethylphenyl) family. Also claimed are libraries of these labels and their use in assays and nucleic acid analysis methods.
• US7741044B2
  申请人：——

  公开号：US7741044B2

  公开（公告）日：2010-06-22
• [EN] AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE<br/>[FR] Dérivés d'azacycloalcane en tant qu'inhibiteurs de la stéaroyl-coenzyme A delta-9 désaturase
  申请人：MERCK FROSST CANADA LTD

  公开号：WO2008046226A1

  公开（公告）日：2008-04-24

  [EN] Azacycloalkane derivatives of structural formula (I) are selective inhibitors of stearoyl-coenzyme A delta-9 desaturase (SCD1) relative to other known stearoyl-coenzyme A desaturases. The compounds of the present invention are useful for the prevention and treatment of conditions related to abnormal lipid synthesis and metabolism, including cardiovascular disease, such as atherosclerosis; obesity; diabetes; neurological disease; metabolic syndrome; insulin resistance; and liver steatosis.
  [FR] L'invention concerne des dérivés d'azacycloalcane de formule structurale (I), lesdits dérivés étant des inhibiteurs sélectifs de la stéaroyl-coenzyme A delta-9 désaturase (SCD1) par rapport à d'autres stéaroyl-coenzyme A désaturases connues. Les composés selon la présente invention sont utiles pour la prévention et le traitement de maladies associées à une synthèse et un métabolisme lipidiques anormaux, notamment les maladies cardiovasculaires, telles que l'athérosclérose ; l'obésité ; le diabète ; les maladies neurologiques ; le syndrome métabolique ; la résistance à l'insuline ; et la stéatose du foie.
• WO2008/46226
  申请人：——

  公开号：——

  公开（公告）日：——