| 1204387-22-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• CAS: 1204387-22-3
• 化学式: C₄₆H₅₄N₈O₇
• 分子量: 830.984
• InChiKey: RAOJPCYZTAAJSL-DXQCBLCSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.99
• 重原子数：
  61.0
• 可旋转键数：
  22.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  175.03
• 氢给体数：
  1.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  5-amino-N-tert-butyl-2-(methylthio)-4-(3-(2-oxo-2-(prop-2-ynylamino)ethylamino)phenyl)thieno[2,3-d]pyrimidine-6-carboxamide 、 在 copper(II) sulfate 、 sodium ascorbate 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 18.0h， 生成
  参考文献：
  名称：

  Development of Selective LH Receptor Agonists by Heterodimerization with a FSH Receptor Antagonist

  摘要：

  The structural resemblance of the luteinizing hormone receptor (LHR) and follicle stimulating hormone receptor (FSHR) impedes selective agonistic targeting of one of those by low molecular weight (LMW) ligands. In the present study we describe a series of dimeric ligands consisting of a LMW agonist with dual activity on the FSHR and the LHR linked to a selective FSHR antagonist. Biological evaluation shows these compounds to be potent and selective LHR agonists since no agonistic activity on the FSHR was observed. Equimolar mixing of the monomeric counterparts did not yield the pharmacological profile observed for the heterodimeric ligands, and FSHR agonism of the monomeric LHR agonist was still observed. The here-described results show that ligands with unique pharmacological profiles can be obtained by dimerizing monomeric molecules with distinct opposite properties.

  DOI：

  10.1021/ml100229v
• 作为产物：
  描述：

  (S)-N-(1-acetyl-2,2,4-trimethyl-4-(4-(prop-2-yn-1-yloxy)phenyl)-1,2,3,4-tetrahydroquinolin-6-yl)-[1,1'-biphenyl]-4-carboxamide 、 1,14-二叠氮基-3,6,9,12-四氧杂十四烷 在 copper(II) sulfate 、 sodium ascorbate 作用下， 以 二氯甲烷 、 水 为溶剂， 生成
  参考文献：
  名称：

  Development of Selective LH Receptor Agonists by Heterodimerization with a FSH Receptor Antagonist

  摘要：

  The structural resemblance of the luteinizing hormone receptor (LHR) and follicle stimulating hormone receptor (FSHR) impedes selective agonistic targeting of one of those by low molecular weight (LMW) ligands. In the present study we describe a series of dimeric ligands consisting of a LMW agonist with dual activity on the FSHR and the LHR linked to a selective FSHR antagonist. Biological evaluation shows these compounds to be potent and selective LHR agonists since no agonistic activity on the FSHR was observed. Equimolar mixing of the monomeric counterparts did not yield the pharmacological profile observed for the heterodimeric ligands, and FSHR agonism of the monomeric LHR agonist was still observed. The here-described results show that ligands with unique pharmacological profiles can be obtained by dimerizing monomeric molecules with distinct opposite properties.

  DOI：

  10.1021/ml100229v