N-[6-(6,7-Bis-benzyloxy-1,2,3,4-tetrahydro-isoquinolin-1-ylmethoxy)-naphthalen-2-yl]-4-(3-hexyl-ureido)-benzenesulfonamide | 314068-11-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: N-[6-(6,7-Bis-benzyloxy-1,2,3,4-tetrahydro-isoquinolin-1-ylmethoxy)-naphthalen-2-yl]-4-(3-hexyl-ureido)-benzenesulfonamide
• CAS: 314068-11-6
• 化学式: C₄₇H₅₀N₄O₆S
• 分子量: 799.003
• InChiKey: KOSFXCGBHZTJDT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.77
• 重原子数：
  58.0
• 可旋转键数：
  18.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  127.02
• 氢给体数：
  4.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  N-[6-(6,7-Bis-benzyloxy-1,2,3,4-tetrahydro-isoquinolin-1-ylmethoxy)-naphthalen-2-yl]-4-(3-hexyl-ureido)-benzenesulfonamide 在 盐酸 作用下， 以 甲醇 为溶剂， 生成 N-[6-(6,7-Dihydroxy-1,2,3,4-tetrahydro-isoquinolin-1-ylmethoxy)-naphthalen-2-yl]-4-(3-hexyl-ureido)-benzenesulfonamide
  参考文献：
  名称：

  Tetrahydroisoquinoline derivatives containing a benzenesulfonamide moiety as potent, selective human β3 adrenergic receptor agonists

  摘要：

  Tetrahydroisoquinoline derivatives containing a 4-(hexylureido)benzenesulfonamide were examined as human beta (3) adrenergic receptor (AR) agonists. Notably, 4,4-biphenyl derivative 9 was a 6 nM full agonist of the beta (3) AR. Naphthyloxy compound 18 (beta (3) EC50 = 78 nM) did not activate the beta (1) and beta (2) ARs at 10 muM, and showed >1000-fold selectivity over binding to the beta (1) and beta (2) ARs. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00459-5
• 作为产物：
  描述：

  3,4-(二苄氧基)苯乙胺盐酸盐 在 吡啶 、 sodium tetrahydroborate 、 乙醇 、 三乙胺 、 三氟乙酸 、 三氯氧磷 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 生成 N-[6-(6,7-Bis-benzyloxy-1,2,3,4-tetrahydro-isoquinolin-1-ylmethoxy)-naphthalen-2-yl]-4-(3-hexyl-ureido)-benzenesulfonamide
  参考文献：
  名称：

  Tetrahydroisoquinoline derivatives containing a benzenesulfonamide moiety as potent, selective human β3 adrenergic receptor agonists

  摘要：

  Tetrahydroisoquinoline derivatives containing a 4-(hexylureido)benzenesulfonamide were examined as human beta (3) adrenergic receptor (AR) agonists. Notably, 4,4-biphenyl derivative 9 was a 6 nM full agonist of the beta (3) AR. Naphthyloxy compound 18 (beta (3) EC50 = 78 nM) did not activate the beta (1) and beta (2) ARs at 10 muM, and showed >1000-fold selectivity over binding to the beta (1) and beta (2) ARs. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00459-5