3-Quinuclidyl 2-thienyl ketone | 60697-86-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 奎宁环
• 英文名称: 3-Quinuclidyl 2-thienyl ketone
• 英文别名: 1-Azabicyclo[2.2.2]oct-3-yl(2-thienyl)methanone；1-azabicyclo[2.2.2]octan-3-yl(thiophen-2-yl)methanone
• CAS: 60697-86-1
• 化学式: C₁₂H₁₅NOS
• 分子量: 221.323
• InChiKey: VESNHJVTIDAWND-UHFFFAOYSA-N

物化性质

• 熔点：
  79-81 °C(Solv: heptane (142-82-5))
• 沸点：
  153-154 °C(Press: 0.8 Torr)
• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  48.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-Quinuclidyl 2-thienyl ketone 在 lithium aluminium tetrahydride 作用下， 以 乙醚 、 苯 为溶剂， 生成 3-Chinuclidyl-2'-thienyl-carbinol
  参考文献：
  名称：

  Synthesis and pharmacological investigation of 3-quinuclidyl dialkyl, diheteryl, and cycloalkylaryl carbinols

  摘要：

  DOI：

  10.1007/bf00779072
• 作为产物：
  描述：

  3-喹核碱羧酸乙酯 以25%的产率得到
  参考文献：
  名称：

  KAMINKA M. EH.; MIXLINA E. E.; VOROBEVA V. YA.; YANINA A. D.; KOMAROVA N.+, XIM.-FARMATSEVT. ZH., 1977, 11, HO 2, 24-28

  摘要：

  DOI：

文献信息

• 5HT7 receptor ligands and compositions comprising the same
  申请人：Laboratorios Del. Dr. Esteve, S.A.

  公开号：EP2149373A1

  公开（公告）日：2010-02-03

  The present invention relates to compounds having pharmacological activity towards the 5-HT7 receptor, especially as agonists, identified by using a pharmacophore and a descriptor's profile filter as well as to pharmaceutical compositions comprising them. These compounds are useful in therapy in particular for the treatment and or prophylaxis of a disease in which 5-HT7 is involved, such as CNS disorders.

  本发明涉及具有药理活性的化合物，特别是作为5-HT7受体激动剂，通过使用药效团和描述符的配置文件筛选识别，以及包含它们的药物组合物。这些化合物在治疗中特别有用，特别是用于治疗和/或预防涉及5-HT7的疾病，如中枢神经系统紊乱。
• Synthesis, stereochemistry, and pharmacology of some new (3-quinuclidyl) diheteroaryl- and aryl heteroaryl carbinols
  作者：O. R. Arbuzova、K. F. Turchin、S. M. Tupikina、M. L. Zhirnikova、E. E. Mikhlina、M. É. Kaminka、L. N. Yakhontov

  DOI：10.1007/bf00766880

  日期：1986.1

  The investigation of the antisecretory and antiulcer activity was performed on hybrid male rats. The influence of the compounds on the gastric secretory function was determined by the method of Shai in the modification of Meyer. Gastric ulcers were induced in the rats by the single ip application of 30 mg of histamine. The data obtained indicate that compound (Ic.HCI) shows antisecretory action. Analysis

  对杂交雄性大鼠进行抗分泌和抗溃疡活性的研究。化合物对胃分泌功能的影响采用Meyer修饰的Shai法测定。通过单次腹膜内施用30mg组胺在大鼠中诱发胃溃疡。获得的数据表明化合物（Ic.HCl）显示出抗分泌作用。关于二呋喃基和二噻吩基衍生物中由 Eu (DPM)/sub 3/ 引起的质子化学位移的分析表明，c/sub 9/ 处的其他两个取代基可以根据给定取代基的旋转子引起的位移。
• Method for screening of 5HT7 receptor ligands based on a new pharmacophore model and a descriptor's profile filter
  申请人：Laboratorios Del. Dr. Esteve, S.A.

  公开号：EP2151777A1

  公开（公告）日：2010-02-10

  The present invention relates to compounds having pharmacological activity towards the 5-HT7 receptor; to a method for identifying them as 5-HT7 ligands, especially as agonists, by using a pharmacophore and a descriptor's profile filter; to pharmaceutical compositions comprising them; and to their use in therapy, in particular for the treatment and or prophylaxis of a disease in which 5-HT7 is involved, such as CNS disorders.

  本发明涉及对5-HT7受体具有药理活性的化合物；涉及通过使用药效谱和描述符特征过滤器将它们鉴定为5-HT7配体，特别是激动剂的方法；涉及包含它们的药物组合物；涉及它们在治疗中的用途，特别是用于治疗和预防5-HT7参与的疾病，如中枢神经系统疾病。
• Synthesis and properties of (3-quinuclidyl)diarylcarbinols
  作者：E. E. Mikhlina、A. D. Yanina、V. Ya. Vorob'eva、N. A. Komarova、L. N. Yakhontov

  DOI：10.1007/bf00477011

  日期：1976.7
• ARBUZOVA, O. R.;TURCHIN, K. F.;TUPIKINA, S. M.;ZHIRNIKOVA, M. L.;MIXLINA,+, XIM.-FARMATS. ZH., 1986, 20, N 1, 72-76
  作者：ARBUZOVA, O. R.、TURCHIN, K. F.、TUPIKINA, S. M.、ZHIRNIKOVA, M. L.、MIXLINA,+

  DOI：——

  日期：——