(1-benzyl-3,5-dimethyl-4(1H)-oxopyridin-2-yl) (3,5-dimethyl-4-oxo-4H-thiopyran-2-yl) sulfide | 75347-39-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: (1-benzyl-3,5-dimethyl-4(1H)-oxopyridin-2-yl) (3,5-dimethyl-4-oxo-4H-thiopyran-2-yl) sulfide
• 英文别名: 1-Benzyl-2-(3,5-dimethyl-4-oxothiopyran-2-yl)sulfanyl-3,5-dimethylpyridin-4-one
• CAS: 75347-39-6
• 化学式: C₂₁H₂₁NO₂S₂
• 分子量: 383.535
• InChiKey: VHYTUHMVGXBXNU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  88
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (1-benzyl-3,5-dimethyl-4(1H)-oxopyridin-2-yl) (3,5-dimethyl-4-oxo-4H-thiopyran-2-yl) sulfide 、 苄胺 以20%的产率得到
  参考文献：
  名称：

  GAONI Y.; GREENBERG F. H., J. ORG. CHEM., 1981, 46, NO 1, 74-78

  摘要：

  DOI：
• 作为产物：
  描述：

  2-bromo-3,5-dimethyl-4H-thiopyran-4-one 、 苄胺 以37%的产率得到
  参考文献：
  名称：

  GAONI Y.; GREENBERG F. H., J. ORG. CHEM., 1981, 46, NO 1, 74-78

  摘要：

  DOI：

文献信息

• 6-MEMBERED HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME
  申请人：Shionogi & Co., Ltd

  公开号：EP3287443A1

  公开（公告）日：2018-02-28

  A compound represented by Formula (I): wherein or the like Y1 is O or the like; Z1 is C(R4) or N; Z2a is C(R5a) or the like; Z3a is C(R6) or the like; R4, R5a and R6 are each independently a hydrogen atom or the like; R1 is substituted or unsubstituted aromatic carbocyclyl or the like; R2a, R2b, R2c and R2d are each independently a hydrogen atom or the like; X is N(R7a) or the like; R7a is a hydrogen atom or the like; R3 is or the like Ring B is a 6-membered aromatic carbocycle or the like; R9a and R10a are each independently halogen or the like; n is an integer from 1 to 5; m is an integer from 0 to 4; and p1 is an integer from 0 to 3, or a pharmaceutically acceptable salt thereof.

  由式 (I) 代表的化合物： 其中 或类似物 Y1 是 O 或类似物； Z1 是 C(R4) 或 N； Z2a 是 C(R5a) 或类似物； Z3a 是 C(R6) 或类似物； R4、R5a 和 R6 各自独立地为氢原子或类似物； R1 为取代或未取代的芳香族碳环或类似物； R2a、R2b、R2c 和 R2d 各自独立地为氢原子或类似物； X 为 N(R7a)或类似物； R7a 为氢原子或类似物； R3 为 N(R7a)或类似物； R4、R5a 和 R6 各自独立地为氢原子或类似物。 或类似物 环 B 是 6 元芳香族碳环或类似物；R9a 和 R10a 各自独立地是卤素或类似物；n 是 1 至 5 的整数；m 是 0 至 4 的整数；以及 p1 是 0 至 3 的整数、 或其药学上可接受的盐。
• 6-membered heterocyclic derivatives and pharmaceutical composition comprising the same
  申请人：Shionogi & Co., Ltd.

  公开号：US10774051B2

  公开（公告）日：2020-09-15

  A compound represented by Formula (I): wherein or the like Y1 is O or the like; Z1 is C(R4) or N; Z2a is C(R5a) or the like; Z3a is C(R6) or the like; R4, R5a and R6 are each independently a hydrogen atom or the like; R1 is substituted or unsubstituted aromatic carbocyclyl or the like; R2a, R2b, R2c and R2d are each independently a hydrogen atom or the like; X is N(R7a) or the like; R7a is a hydrogen atom or the like; R3 is or the like Ring B is a 6-membered aromatic carbocycle or the like; R9a and R10a are each independently halogen or the like; n is an integer from 1 to 5; m is an integer from 0 to 4; and p1 is an integer from 0 to 3, or a pharmaceutically acceptable salt thereof.

  由式 (I) 代表的化合物： 其中 之类 Y1是O或类似物；Z1是C(R4)或N；Z2a是C(R5a)或类似物；Z3a是C(R6)或类似物；R4、R5a和R6各自独立地是氢原子或类似物；R1是取代或未取代的芳香族碳环或类似物；R2a、R2b、R2c和R2d各自独立地是氢原子或类似物；X是N(R7a)或类似物；R7a是氢原子或类似物；R3是N(R7a)或类似物；R4、R5a和R6各自独立地是氢原子或类似物。 之类 环 B 是 6 元芳香族碳环或类似物；R9a 和 R10a 各自独立地为卤素或类似物；n 是 1 至 5 的整数；m 是 0 至 4 的整数；p1 是 0 至 3 的整数、 或其药学上可接受的盐。
• Reactions of 2-functionalized 4H-thiopyran-4-ones with nucleophiles. 2. Reactions with primary amines
  作者：Y. Gaoni、F. H. Greenberg

  DOI：10.1021/jo00314a016

  日期：1981.1
• 6-MEMBERED HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME
  申请人：Shionogi & Co., Ltd.

  公开号：US20180118694A1

  公开（公告）日：2018-05-03

  A compound represented by Formula (I): wherein or the like Y 1 is O or the like; Z 1 is C(R 4 ) or N; Z 2a is C(R 5a ) or the like; Z 3a is C(R 6 ) or the like; R 4 , R 5a and R 6 are each independently a hydrogen atom or the like; R 1 is substituted or unsubstituted aromatic carbocyclyl or the like; R 2a , R 2b , R 2c and R 2d are each independently a hydrogen atom or the like; X is N(R 7a ) or the like; R 7a is a hydrogen atom or the like; R 3 is or the like Ring B is a 6-membered aromatic carbocycle or the like; R 9a and R 10a are each independently halogen or the like; n is an integer from 1 to 5; m is an integer from 0 to 4; and p1 is an integer from 0 to 3, or a pharmaceutically acceptable salt thereof.