4-[(2-Bromo-5,5-dimethyl-3-oxocyclohexen-1-yl)amino]butanoic acid | 102689-01-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 4-[(2-Bromo-5,5-dimethyl-3-oxocyclohexen-1-yl)amino]butanoic acid
• CAS: 102689-01-0
• 化学式: C₁₂H₁₈BrNO₃
• 分子量: 304.184
• InChiKey: NDEBEHLEPQDHKS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-methoxy-5-amino-6-mercaptopyrimidine 、 4-[(2-Bromo-5,5-dimethyl-3-oxocyclohexen-1-yl)amino]butanoic acid 生成 4-[(4-Methoxy-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-yl)azaniumyl]butanoate
  参考文献：
  名称：

  Amino-derivatives of 4-methoxy-7,8-dihydro-1,3-diazaphenothiazine and their neurotropic activity

  摘要：

  DOI：

  10.1007/bf00766681
• 作为产物：
  描述：

  4-(5,5-Dimethyl-3-oxo-cyclohex-1-enylamino)-butyric acid 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 甲醇 、 水 为溶剂， 以81%的产率得到4-[(2-Bromo-5,5-dimethyl-3-oxocyclohexen-1-yl)amino]butanoic acid
  参考文献：
  名称：

  Amino-derivatives of 4-methoxy-7,8-dihydro-1,3-diazaphenothiazine and their neurotropic activity

  摘要：

  DOI：

  10.1007/bf00766681

文献信息

• Synthesis and pharmacological properties of 4,9-diamino derivatives of 7,8-dihydro-1,3-diazaphenothiazine
  作者：M. P. Nemeryuk、L. A. Tolokontseva、M. V. Pykhova、A. I. Polezhaeva、L. F. Roshchina、R. D. Syubaev、T. S. Safonova、M. D. Mashkovskii

  DOI：10.1007/bf00767831

  日期：1985.8
• NEMERYUK, M. P.;TOLOKONTSEVA, L. A.;PYXOVA, M. V.;POLEZHAEVA, A. I.;ROSHC+, XIM.-FARMATS. ZH., 1985, 19, N 8, 964-968
  作者：NEMERYUK, M. P.、TOLOKONTSEVA, L. A.、PYXOVA, M. V.、POLEZHAEVA, A. I.、ROSHC+

  DOI：——

  日期：——
• NEMERYUK, M. P.;TOLOKONTSEVA, L. A.;YADROVSKAYA, V. A.;POLEZHAEVA, A. I.;+, XIM. FARMATS. ZH., 1985, 19, N 7, 810-814
  作者：NEMERYUK, M. P.、TOLOKONTSEVA, L. A.、YADROVSKAYA, V. A.、POLEZHAEVA, A. I.、+

  DOI：——

  日期：——
• CHIMERIC GABAB RECEPTOR
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP1664112A2

  公开（公告）日：2006-06-07
• Chimeric gaba receptor
  申请人：Smans Astrid Karine Alfonsine

  公开号：US20060216749A1

  公开（公告）日：2006-09-28

  The present invention provides an isolated GABA B receptor protein comprising at least one GABA B R1 a subunit and at least one GABA B R2 a subunit, characterized in that said GABA B receptor has one high affinity agonist binding site and one low affinity agonist binding site. In particular the isolated recombinant GABA B receptor protein expressed by the hGABA B R1 a /GABA B R2 CHO cell line deposited at the Belgian Coordinated Collections of Microorganisms (BCCM) as CHO-K1 h-GABA-b R1 a /R2 clone on Aug. 22, 2003 with the accession number LMBP 6046CB. It is thus an object of the present invention to provide the hGABA B R1 a /GABA B R2 CHO cell line deposited at the Belgian Coordinated Collections of Microorganisms (BCCM) as CHO-K1 h-GABA-b R1 a /R2 clone on Aug. 22, 2003 with the accession number LMBP 6046CB. The invention also provides the use of the aforementioned cell line in a method to identify GABA B receptor agonists using a functional or a binding assay. In particular in a radioligand-binding assay comprising the use of radiolabeled agonists such as for example 3 H-GABA or 3 H-baclofen. In a particular embodiment the present invention provides the use of the aforementioned GABA B receptor in a method to identify a high affinity GABA B receptor agonist using a functional or a binding assay. In particular in a radioligand-binding assay comprising the use of radiolabeled agonists such as for example 3 H-GABA or 3 H-baclofen. Alternatively, the aforementioned binding assays are performed on cellular extracts, in particular cellular membrane preparations of the aforementioned cells.