(7-{3-[2-(2-Amino-ethoxy)-ethoxy]-propoxy}-6-ethoxy-2,4-dihydro-indeno[1,2-c]pyrazol-3-yl)-(3-ethoxy-phenyl)-amine | 852657-17-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (7-{3-[2-(2-Amino-ethoxy)-ethoxy]-propoxy}-6-ethoxy-2,4-dihydro-indeno[1,2-c]pyrazol-3-yl)-(3-ethoxy-phenyl)-amine
• 英文别名: 7-[3-[2-(2-aminoethoxy)ethoxy]propoxy]-6-ethoxy-N-(3-ethoxyphenyl)-1,4-dihydroindeno[1,2-c]pyrazol-3-amine
• CAS: 852657-17-1
• 化学式: C₂₇H₃₆N₄O₅
• 分子量: 496.607
• InChiKey: RDGOOTVLJYZNBN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  36
• 可旋转键数：
  16
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  113
• 氢给体数：
  3
• 氢受体数：
  8

文献信息

• Immobilized N-substituted tricyclic 3-aminopyrazoles for the identification of biomolecular targets
  申请人：Ho Y. Chih

  公开号：US20050130910A1

  公开（公告）日：2005-06-16

  The present invention relates to immobilized N-substituted tricyclic 3-aminopyrazole compounds of Formula 1 as tools for the identification of bimolecular targets in cells of therapeutic significance, profiling the selectivity of compounds, prediction of possible related toxicities and exploration of mechanisms of action in biological systems for therapeutic indications related to compounds. These agents can be used to identify biomolecules with the potential to interact with the immobilized reagent. The identified biomolecule may be then be used as a therapeutic target, serve as a marker of drug action, or alternatively describe an untoward or toxic potential of the immobilized agent.

  本发明涉及式 1 的固定化 N-取代三环 3-氨基吡唑化合物，可用作鉴定细胞中具有治疗 意义的双分子靶标、分析化合物的选择性、预测可能的相关毒性以及探索生物系统中与复 合物相关的治疗适应症的作用机制的工具。这些制剂可用于识别可能与固定试剂发生相互作用的生物分子。识别出的生物分子可用作治疗靶标、药物作用标记，或描述固定化试剂的不良或毒性潜能。
• IMMOBILIZED N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES FOR THE IDENTIFICATION OF BIOMOLECULAR TARGETS
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP1682516A2

  公开（公告）日：2006-07-26
• [EN] IMMOBILIZED N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES FOR THE IDENTIFICATION OF BIOMOLECULAR TARGETS<br/>[FR] 3-AMINOPYRAZOLES TRICYCLIQUES N-SUBSTITUES IMMOBILISES UTILISES DANS L'IDENTIFICATION DE CIBLES BIOMOLECULAIRES
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2005049579A2

  公开（公告）日：2005-06-02

  The present invention relates to immobilized N-substituted tricyclic 3-aminopyrazole compounds of Formula 1 as tools for the identification of bimolecular targets in cells of therapeutic significance, profiling the selectivity of compounds, prediction of possible related toxicities and exploration of mechanisms of action in biological systems for therapeutic indications related to compounds. These agents can be used to identify biomolecules with the potential to interact with the immobilized reagent. The identified biomolecule may be then be used as a therapeutic target, serve as a marker of drug action, or alternatively describe an untoward or toxic potential of the immobilized agent.