N-cyclohexyl-5-[2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-3H-[1,2,4]triazin-2-yl)-phenoxy]-2-hydroxy-benzenesulfonamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-cyclohexyl-5-[2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-3H-[1,2,4]triazin-2-yl)-phenoxy]-2-hydroxy-benzenesulfonamide
• 英文别名: N-cyclohexyl-5-(2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)phenoxy)-2-hydroxybenzenesulfonamide；N-cyclohexyl-5-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-2-hydroxybenzenesulfonamide
• 化学式: C₂₁H₂₀Cl₂N₄O₆S
• 分子量: 527.385
• InChiKey: PRIYYGPQKYVTFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  146
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2-(3,5-dichloro-4-(-4-methoxyphenoxy)phenyl)-1,2,4-triazin-3,5(2H,4H)dione 在 氯磺酸 、 三溴化硼 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 N-cyclohexyl-5-[2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-3H-[1,2,4]triazin-2-yl)-phenoxy]-2-hydroxy-benzenesulfonamide
  参考文献：
  名称：

  Discovery of a novel series of 6-azauracil-based thyroid hormone receptor ligands: potent, TRβ subtype-selective thyromimetics

  摘要：

  In this communication, we wish to describe the discovery of a novel series of 6-azauracil-based thyromimetics that possess up to 100-fold selectivities for binding and functional activation of the beta(1)-isoform of the thyroid receptor family. Structure-activity relationship studies on the 3,5- and 3'-positions provided compounds with enhanced TRbeta affinity and selectivity. Key binding interactions between the 6-azauracil moiety and the receptor have been determined through of X-ray crystallographic analysis. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00947-2

文献信息

• Medical use of thyromimetic compounds to treat hair loss and compositions
  申请人：Pfizer Products Inc.

  公开号：EP1262177A2

  公开（公告）日：2002-12-04

  The present invention provides methods and compositions for treating hair loss, including arresting and/or reversing hair loss and/or promoting hair growth, in mammals, such as humans, companion animals and livestock, using certain thyromimetic compounds.

  本发明提供了利用某些拟甲状腺化合物治疗哺乳动物（如人类、伴侣动物和家畜）脱发的方法和组合物，包括阻止和/或逆转脱发和/或促进毛发生长。
• Method of treating hair loss using thyromimetic compounds
  申请人：——

  公开号：US20030007941A1

  公开（公告）日：2003-01-09

  The present invention provides methods and compositions for treating hair loss, including arresting and/or reversing hair loss and/or promoting hair growth, in mammals, such as humans, companion animals and livestock, using certain thyromimetic compounds.

  本发明提供了利用某些拟甲状腺化合物治疗哺乳动物（如人类、伴侣动物和家畜）脱发的方法和组合物，包括阻止和/或逆转脱发和/或促进毛发生长。
• 6-azauracil derivatives as thyroid receptor ligands
  申请人：Pfizer Products Inc.

  公开号：EP1088819B1

  公开（公告）日：2005-06-15
• Method of promoting nail growth using thyromimetic compounds
  申请人：Doherty Niall S.

  公开号：US20110098303A1

  公开（公告）日：2011-04-28

  The present invention provides methods and compositions for increasing the rate of nail growth in mammals, especially humans, using thyromimetic compounds.
• US6787652B1
  申请人：——

  公开号：US6787652B1

  公开（公告）日：2004-09-07