3-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-N,N-dicyclohexylpropanamide

• 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: 3-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-N,N-dicyclohexylpropanamide
• 英文别名: N,N-dicyclohexyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropanamide
• 化学式: C₂₉H₄₇NO₂S
• 分子量: 473.8
• InChiKey: JRXLHOJONHXXGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  65.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N,N-dicyclohexylacrylamide 、 2,6-二叔丁基-4-巯基苯酚 、 三乙胺 在 crude material 、 silica 、 正己烷 作用下， 以 甲醇 为溶剂， 反应 12.0h， 生成 3-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-N,N-dicyclohexylpropanamide
  参考文献：
  名称：

  Bicycloalkyl tricycloalkyl, azabicycloalkyl and azatricycoalkyl amides

  摘要：

  本发明的化合物是由以下式子表示的双环、三环、氮杂双环和氮杂三环酰胺：##STR1## 其中：R.sub.1和R.sub.2是以下组成的同类或异类成员：卤素、苯基、取代苯基和一个##STR2##组，其中n、m和p独立地是1至8的整数，但n+m+p小于或等于10；X是硫、亚砜或磺酰基；Alk是直链或支链低碳链；R.sub.3选自以下组成的群体：双环烷基氨基、三环烷基氨基、氮杂双环烷基、氮杂三环烷基、氮杂双环烷基氨基、氮杂三环烷基氨基或二环烷基氨基。这些化合物可用作抗炎和抗过敏剂。

  公开号：

  US05019597A1

文献信息

• Bicycloalky, tricycloalkyl, azabicycloalkyl, and azatricycloalkyl thio
  申请人：G. D. Searle & Co.

  公开号：US05157053A1

  公开（公告）日：1992-10-20

  The compounds of this invention are bicyclic, tricyclic, azabicyclic and azatricyclic amides represented by the formula: ##STR1## wherein: R.sub.1 and R.sub.2 are the same or different members of the group consisting of halo, phenyl, substituted phenyl and a ##STR2## group wherein n, m and p are independently an integer of from 1 to 8 provided that n+m+p is equal to or less than 10; x is thio, sulfinyl or sulfonyl; Alk is straight or branched chain lower alkylene; R.sub.3 is selected from the group-consisting of a bicycloalkylamino, tricycloalkylamino, azabicycloalkyl, azatricycloalkyl, aszabicycloalkylamino, azatricycloalkylamino or dicycloalkylamino, The compounds are useful as anti-inflammatory and anti-allergy agents.

  本发明的化合物是由下式表示的双环、三环、氮杂双环和氮杂三环酰胺：##STR1## 其中：R.sub.1和R.sub.2是卤素、苯基、取代苯基和##STR2##基团中相同或不同的成员，其中n、m和p是独立的1至8的整数，前提是n+m+p等于或小于10；x是硫、亚硫酰或磺酰基；Alk是直链或支链低级烷基；R.sub.3选自以下群体：双环烷基氨基、三环烷基氨基、氮杂双环烷基、氮杂三环烷基、aszabicycloalkylamino、azatricycloalkylamino或二环烷基氨基。这些化合物可用作抗炎和抗过敏剂。
• Azabicycloalkyl and azatricycloalkyl amides used to treat inflammation,
  申请人：G. D. Searle and Co.

  公开号：US05244899A1

  公开（公告）日：1993-09-14

  The compounds of this invention are azabicyclic and azatricyclic amides represented by the formula: ##STR1## wherein: R.sub.1 and R.sub.2 are the same or different members of the group consisting of halo, phenyl, substituted phenyl and a ##STR2## group wherein n, m and p are independently an integer of from 1 to 8 provided that n+m+p is equal to or less than 10; X is thio, sulfinyl or sulfonyl; Alk is straight or branched chain lower alkylene; R.sub.3 is selected from the group consisting of a azabicycloalkylamino, azatricycloalkylamino or dicycloalkylamino. The compounds are useful as anti-inflammatory and anti-allergy agents.

  本发明的化合物是由下式表示的氮杂双环和氮杂三环酰胺：##STR1## 其中：R.sub.1和R.sub.2是卤素、苯基、取代苯基和一个##STR2##基团，其中n、m和p分别是1到8之间的整数，但n+m+p小于或等于10；X为硫、亚砜或磺酰基；Alk为直链或支链低级别烷基；R.sub.3选自氮杂双环烷基氨基、氮杂三环烷基氨基或二环烷基氨基的群。这些化合物可用作抗炎和抗过敏剂。
• Bicycloalkyl, tricycloalkyl, azabicycloalkyl and azatricycloalkyl amides
  申请人：G.D. Searle & Co.

  公开号：EP0190684A2

  公开（公告）日：1986-08-13

  The compounds of this invention are bicyclic, tricyclic, azabicyclic and azatricyclic amides represented by the formula: wherein: R, and R2 are the same or different members of the group consisting of halo, phenyl, substituted phenyl and a group wherein n, m and p are independently an integer of from 1 to 8 provided that n + m + p is equal to or less than 10; X is thio, sulfinyl or sulfonyl; Alk is straight or branched chain lower alkylene; R3 is selected from the group consisting of a bicycloalkylamino, tricycloalkylamino, azabicycloalkyl, azatricycloalkyl, azabicycloalkylamino, azatricycloalkylamino or dicycloalkylamino. The compounds are useful as anti-inflammatory and anti-allergy agents.

  本发明的化合物为双环、三环、氮杂双环和氮杂环酰胺，由式表示： 其中R、和 R2 是卤代、苯基、取代苯基和一个基团组成的组中相同或不同的成员 其中 n、m 和 p 独立地为 1 至 8 的整数，条件是 n + m + p 等于或小于 10；X 为硫代、亚磺酰基或磺酰基；Alk 为直链或支链低级亚烷基；R3 选自由双环烷基氨基、三环烷基氨基、氮杂环烷基、氮杂环烷基、氮杂环烷基氨基、氮杂环烷基氨基或二环烷基氨基组成的组。这些化合物可用作抗炎剂和抗过敏剂。
• US5019597A
  申请人：——

  公开号：US5019597A

  公开（公告）日：1991-05-28
• US5157053A
  申请人：——

  公开号：US5157053A

  公开（公告）日：1992-10-20