N-(1-adamantyl)-1-methyl-5-phenylsulfanylpyrazole-4-carboxamide | 937743-04-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: N-(1-adamantyl)-1-methyl-5-phenylsulfanylpyrazole-4-carboxamide
• CAS: 937743-04-9
• 化学式: C₂₁H₂₅N₃OS
• 分子量: 367.515
• InChiKey: XVTIQAPJFIEUNO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  72.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  金刚烷胺 、 5-氯-4-乙氧羰基-1-甲基吡唑 、 苯硫酚 在 caesium carbonate 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 N-(1-adamantyl)-1-methyl-5-phenylsulfanylpyrazole-4-carboxamide
  参考文献：
  名称：

  HETEROCYCLIC COMPOUND HAVING INHIBITORY ACTIVITY ON 11-B-HYDROXYSTEROID DEHYDROGENASE TYPE I

  摘要：

  公开号：

  EP1953145B1

文献信息

• HETEROCYCLIC COMPOUND HAVING INHIBITORY ACTIVITY ON 11- -HYDROXYSTEROID DEHYDROGENASE TYPE I
  申请人：Shionogi & Co., Ltd.

  公开号：EP1953145A1

  公开（公告）日：2008-08-06

  Disclosed is a compound useful as a type I 11βhydroxysteroid dehydrogenase inhibitor. A compound represented by the formula: a pharmaceutically acceptable salt or solvate thereof, wherein R1 is optionally substituted alkyl or the like, one of R2 and R4 is a group of formula: -Y-R5, wherein Y is -O- or the like, R5 is substituted alkyl (the substituent is optionally substituted cycloalkyl or the like), optionally substituted branched alkyl or the like, the other of R2and R4 is hydrogen or optionally substituted alkyl, R3 is a group of formula: -C(=O)-Z-R6, wherein Z is -NR7- or -NR7-W-, R6 is optionally substituted cycloalkyl or the like, R7 is hydrogen or optionally substituted alkyl, W is optionally substituted alkylene, X is =N- or the like, with the proviso that compounds wherein R2 is 2-(morphorino)ethoxy, R3 is N-(1-adamantyl)carbamoyl and R1 is benzyl are excluded.

  本发明公开了一种可用作 I 型 11β 羟类固醇脱氢酶抑制剂的化合物。 一种由式表示的化合物： 其药学上可接受的盐或溶液、 其中 R1 是任选取代的烷基或类似物、 R2 和 R4 中的一个是式中的基团：-Y-R5、 其中 Y 是 -O- 或类似物、 R5 是取代的烷基（取代基是任选取代的环烷基或类似物）、任选取代的支链烷基或类似物、 R2 和 R4 中的另一个是氢或任选取代的烷基、 R3 是式中的基团：-C(=O)-Z-R6、 其中 Z 是-NR7-或-NR7-W-、 R6 是任选取代的环烷基或类似物、 R7 是氢或任选取代的烷基、 W 是任选取代的亚烷基、 X 是 =N- 或类似物、 但 R2 为 2-(吗啉基)乙氧基、R3 为 N-(1-金刚烷基)氨基甲酰基、R1 为苄基的化合物除外。
• HETEROCYCLIC COMPOUNDS HAVING TYPE I 11beta HYDROXYSTEROID DEHYDROGENASE INHIBITORY ACTIVITY
  申请人：Kurose Noriyuki

  公开号：US20090170832A1

  公开（公告）日：2009-07-02

  Disclosed is a compound useful as a type I 11βhydroxysteroid dehydrogenase inhibitor. A compound represented by the formula: a pharmaceutically acceptable salt or solvate thereof, wherein R 1 is optionally substituted alkyl or the like, one of R 2 and R 4 is a group of formula: —Y—R 5 , wherein Y is —O— or the like, R 5 is substituted alkyl (the substituent is optionally substituted cycloalkyl or the like), optionally substituted branched alkyl or the like, the other of R 2 and R 4 is hydrogen or optionally substituted alkyl, R 3 is a group of formula: —C(═O)-Z-R 6 , wherein Z is —NR 7 — or —NR 7 —W—, R 6 is optionally substituted cycloalkyl or the like, R 7 is hydrogen or optionally substituted alkyl, W is optionally substituted alkylene, X is ═N— or the like, with the proviso that compounds wherein R 2 is 2-(morphorino)ethoxy, R 3 is N-(1-adamantyl)carbamoyl and R 1 is benzyl are excluded.
• US8324265B2
  申请人：——

  公开号：US8324265B2

  公开（公告）日：2012-12-04
• HETEROCYCLIC COMPOUND HAVING INHIBITORY ACTIVITY ON 11-B-HYDROXYSTEROID DEHYDROGENASE TYPE I
  申请人：Shionogi & Co., Ltd.

  公开号：EP1953145B1

  公开（公告）日：2015-11-04