(3S,4R)-3,4-dihydro-4-(2,3-dihydro-2-methyl-3-oxo-pyridazin-6-yl)oxy-3-hydroxy-6-(3-hydroxyphenyl)suphonyl-2,2,3-trimethyl-2H-benzo[b]pyran | 162704-20-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: (3S,4R)-3,4-dihydro-4-(2,3-dihydro-2-methyl-3-oxo-pyridazin-6-yl)oxy-3-hydroxy-6-(3-hydroxyphenyl)suphonyl-2,2,3-trimethyl-2H-benzo[b]pyran
• 英文别名: UK-157147；(3S,4R)-[6-(3-hydroxyphenyl)sulfonyl]-2,2,3-trimethyl-4-(2-methyl-3-oxo-2,3-dihydropyridazin-6-yl-oxy)-3-chromanol；6-[[(3S,4R)-3,4-dihydro-3-hydroxy-6-[(3-hydroxyphenyl)sulfonyl]-2,2,3-trimethyl-2H-1-benzopyran-4-yl]oxy]-2-methyl-3(2H)-pyridazinone；(3S,4R)-3,4-dihydro-4-(2,3-dihydro-2-methyl-3-oxopyridazin-6-yl)oxy-3-hydroxy-6-(3-hydroxyphenyl)sulfonyl-2,2,3-trimethyl-2H-benzo[b]pyran；(3S,4R)-3,4-dihydro-4-(2,3-dihydro-2-methyl-3-oxopyridazin-6-yl)oxy-3-hydroxy-6-(3-hydroxyphenyl)sulphonyl-2,2,3-trimethyl-2H-benzo[b]pyran；Unii-4mlv6V88TG；6-[[(3S,4R)-3-hydroxy-6-(3-hydroxyphenyl)sulfonyl-2,2,3-trimethyl-4H-chromen-4-yl]oxy]-2-methylpyridazin-3-one
• CAS: 162704-20-3
• 化学式: C₂₃H₂₄N₂O₇S
• 分子量: 472.519
• InChiKey: MOZBVDKKWDXRGH-GGAORHGYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  134
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  6-[[(3S,4R)-6-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]sulfonyl-3-hydroxy-2,2,3-trimethyl-4H-chromen-4-yl]oxy]-2-methylpyridazin-3-one 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以33.5 g的产率得到(3S,4R)-3,4-dihydro-4-(2,3-dihydro-2-methyl-3-oxo-pyridazin-6-yl)oxy-3-hydroxy-6-(3-hydroxyphenyl)suphonyl-2,2,3-trimethyl-2H-benzo[b]pyran
  参考文献：
  名称：

  钾通道开放剂 (3S,4R)-3,4-Dihydro-4-(2,3-dihydro-2-methyl-3-oxo-pyridazin-6-Yl)oxy-3-hydroxy-6-( 3-羟基苯基)磺酰基-2,2,3-三甲基-2H-苯并[b]吡喃

  摘要：

  摘要 钾通道开放剂 (3S,4R)-3,4-dihydro-4-(2,3-dihydro-2-methyl-3-oxo-pyridazin-6-yl)oxy-3-hydroxy-6 的制备报道了-(3-羟基苯基)磺酰基-2,2,3-三甲基-2H-苯并[b]吡喃(1)作为单一对映异构体。相对于原始合成进行了相当大的改进，允许制备数克数量的最终目标化合物。优化的合成由六步线性序列组成，其关键步骤是通过使用 Jacobsen's (S,S)-(+)-N,N'-bis(3,5-di-tert-butylsalicylidene) 的不对称环氧化方案)-1,2-环己烷二氨基锰(III)氯化物催化剂。

  DOI：

  10.1080/00397910701557531

文献信息

• ANDROGEN MODULATORS
  申请人：Boys Mark Laurence

  公开号：US20090170886A1

  公开（公告）日：2009-07-02

  The present invention is directed to a new class of benzonitriles and to their use as androgen receptor modulators. Other aspects of the invention are directed to the use of these compounds to decrease excess sebum secretions and to stimulate hair growth.

  本发明涉及一种新型苯甲腈类化合物，以及它们作为雄激素受体调节剂的用途。该发明的其他方面涉及利用这些化合物来减少多余的皮脂分泌并刺激头发生长。
• Androgen receptor modulators
  申请人：Hu Lain-Yen

  公开号：US20050182132A1

  公开（公告）日：2005-08-18

  The present invention is directed to a new class of 4-oxo-benzonitriles, their use as androgen modulators, and to their use in the treatment of alopecia.

  本发明涉及一种新型4-氧代苯甲腈类化合物，其作为雄激素调节剂的用途，以及其在治疗脱发中的应用。
• Androgen modulators
  申请人：Hu Lain-Yen

  公开号：US20060009427A1

  公开（公告）日：2006-01-12

  The present invention is directed to a new class of 4-cycloalkoxy benzonitriles and to their use as androgen receptor modulators. Other aspects of the invention are directed to the use of these compounds to decrease excess sebum secretions and to stimulate hair growth.

  本发明涉及一种新型的4-环烷氧基苯甲腈类化合物，以及它们作为雄激素受体调节剂的用途。本发明的其他方面涉及使用这些化合物来减少多余的皮脂分泌并刺激头发生长。
• [EN] ANDROGEN MODULATORS<br/>[FR] MODULATEURS D'ANDROGENES
  申请人：WARNER LAMBERT CO

  公开号：WO2005100305A1

  公开（公告）日：2005-10-27

  The present invention is directed to a new class of 4-cyano-phenoxy-alkyl carboxyl derivatives and to their use as androgen receptor modulators. Other aspects of the invention are directed to the use of these compounds to decrease excess sebum secretions and to stimulate hair growth.

  本发明涉及一种新的4-氰基苯氧基-烷基羧酸衍生物类别，以及它们作为雄激素受体调节剂的用途。该发明的其他方面涉及使用这些化合物来减少多余的皮脂分泌并刺激生发。
• [EN] ANDROGEN MODULATORS<br/>[FR] MODULATEURS ANDROGENES
  申请人：WARNER LAMBERT CO

  公开号：WO2006024942A1

  公开（公告）日：2006-03-09

  The present invention is directed to a new class of benzonitriles and to their use as androgen receptor modulators. Other aspects of the invention are directed to the use of these compounds to decrease excess sebum secretions and to stimulate hair growth.

  本发明涉及一种新型苯甲腈类化合物，以及它们作为雄激素受体调节剂的用途。该发明的其他方面涉及利用这些化合物来减少多余的皮脂分泌并刺激头发生长。