2-<(3,5-Di-t-butyl-4-hydroxyphenyl)thio>pentansaeure | 63179-06-6

• 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: 2-<(3,5-Di-t-butyl-4-hydroxyphenyl)thio>pentansaeure
• 英文别名: 2-[[3,5-bis(1,1-dimethylethyl)-4-hydroxy phenyl]thio]pentanoic acid；[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenylthio]pentanoic acid；2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpentanoic acid
• CAS: 63179-06-6
• 化学式: C₁₉H₃₀O₃S
• 分子量: 338.511
• InChiKey: SHDMBRVUFHSAHT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  82.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-苄基哌嗪 、 2-<(3,5-Di-t-butyl-4-hydroxyphenyl)thio>pentansaeure 生成 1-[2-[[3,5-bis(1,1-dimethylethyl)-4-hydroxy phenyl]thio]-1-oxopentyl]-4-(phenylmethyl)piperazine
  参考文献：
  名称：

  Method of treating inflammation, allergy, asthma and proliferative skin

  摘要：

  本发明的化合物是由以下式表示的杂环酰胺：##STR1##其中：R.sub.1 R.sub.2 是由卤素、苯基、取代苯基和一个##STR2##基团中的相同或不同成员，其中q、r和t独立地是1到8的整数，前提是q+r+t等于或小于10；y是硫、亚硫酰基或磺酰基；Alk是直链或支链较低的烷基，R.sub.3 是由以下式表示的杂环胺：##STR3##其中R.sub.4 选自氢、较低烷基、苯基、取代苯基、苄基、取代苄基、羧基或羧基较低烷基的群；X选自N--R.sub.4、O和CH.sub.2；m是2或3；当X为O或N--R.sup.4时，n是2或3，当x为CH.sub.2时，n是1到3；p为0到2；以及其药用盐。这些化合物是抗炎和抗过敏剂。

  公开号：

  US04959364A1
• 作为产物：
  描述：

  2-<(3,5-Di-t-butyl-4-hydroxyphenyl)thio>pentansaeure-ethylester 生成 2-<(3,5-Di-t-butyl-4-hydroxyphenyl)thio>pentansaeure
  参考文献：
  名称：

  Phenolic thioethers, sulfoxides, and disulfides as inhibitors of

  摘要：

  本发明的化合物包括取代酚硫醚、亚砜和二硫化物，它们是5-脂氧合酶的特异性抑制剂，因此在治疗局部和全身炎症、过敏和过敏反应以及其他涉及5-脂氧合酶代谢途径中形成的药物的紊乱方面具有用处。

  公开号：

  US05002967A1

文献信息

• Hypolipidemic arylthioalkanoic acids
  作者：Eugene R. Wagner、Robert G. Dull、Larry G. Mueller、Bobbie J. Allen、Alfred A. Renzi、Darrel J. Rytter、James W. Barnhart、Carol Byers

  DOI：10.1021/jm00218a004

  日期：1977.8

  A series of arylthioalkanoic acids related to probucol was studied for hypolipidemic activity. Homologation of the alkyl side chain led to marked changes in the serum cholesterol and serum triglyceride lowering activity in rats with the best combination of properties appearing in compound 7, 2-[3,5-di-tert-butyl-4-hydroxyphenyl)thio]hexanoic acid. Modification of the ring substitution failed to improve

  研究了与普罗布考有关的一系列芳硫基链烷酸的降血脂活性。烷基侧链的同源性导致大鼠血清胆固醇和血清甘油三酯降低活性的明显变化，其中化合物7、2- [3,5-二叔丁基-4-羟基苯基）硫基化合物具有最佳的特性组合己酸。尽管经验观察到亲脂取代是必要的，但是环取代的修饰不能提高活性。除去酚羟基可制得性质类似于7但活性稍低的化合物23。用氧气代替硫增加了该系列的毒性。外消旋体7的拆分并没有改变该化合物的活性。
• Disubstituted 4-hydroxyphenylthio anilides
  申请人：G. D. Searle & Co.

  公开号：US05225444A1

  公开（公告）日：1993-07-06

  The compounds of this invention are anilides 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 hydrogen or lower alkyl; and R.sub.4 is phenyl or substituted phenyl. The compounds of the present invention are useful in the treatment of inflammation, allergy and hypersensitivity reactions and other disorders of the immune system.

  本发明的化合物是由下式表示的苯酰胺：##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到8的整数，前提是n+m+p等于或小于10; X是硫，亚砜或磺酰基; Alk是直链或支链较低的烷基; R.sub.3是氢或较低的烷基; R.sub.4是苯基或取代苯基。本发明的化合物可用于治疗炎症，过敏和超敏反应以及免疫系统的其他疾病。
• Heterocyclic amides
  申请人：G. D. Searle & Co.

  公开号：US04981853A1

  公开（公告）日：1991-01-01

  The compounds of this invention are heterocyclic 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 q, r and t are independently an integer of from 1 to 8 provided that q+r+t is equal to or less than 10; Y is thio, sulfinyl or sulfonyl; Alk is straight or branched chain lower alkylene, and R.sub.3 is a heterocyclic amine represented by the formula: ##STR3## wherein R.sub.4 is selected from the group consisting of hydrogen, lower alkyl, phenyl, substituted phenyl, benzyl, substituted benzyl, carboxyl or carboxyloweralkyl; X is selected from the group consisting of N-R.sub.4, O and CH.sub.2 ; m is 2 or 3; n is 2 or 3 when X is O or N-R.sup.4, and n is 1 to 3 when X is CH.sub.2 ; p is 0 to 2; and the pharmaceutically acceptable salts thereof. The compounds are anti-inflammatory and anti-allergy agents.

  本发明的化合物是由下式表示的杂环酰胺：##STR1## 其中：R.sub.1和R.sub.2是卤素、苯基、取代苯基和##STR2##基团中的相同或不同成员，其中q、r和t是独立的1到8的整数，前提是q+r+t等于或小于10；Y是硫、亚砜或磺酰基；Alk是直链或支链低烷基，R.sub.3是由下式表示的杂环胺：##STR3## 其中R.sub.4选择自羟基、低烷基、苯基、取代苯基、苄基、取代苄基、羧基或羧基低烷基的群；X选择自N-R.sub.4、O和CH.sub.2；m为2或3；当X为O或N-R.sup.4时，n为2或3，当X为CH.sub.2时，n为1到3；p为0到2；以及其药学上可接受的盐。这些化合物是抗炎和抗过敏剂。
• Novel disubstituted 4-hydroxyphenylthio anilides
  申请人：G. D. Searle & Co.

  公开号：US05071876A1

  公开（公告）日：1991-12-10

  The compounds of this invention are anilides 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 hydrogen or lower alkyl; and R.sub.4 is phenyl or substituted phenyl. The compounds of the present invention are useful in the treatment of inflammation, allergy and hypersensitivity reactions and other disorders of the immune system.

  本发明的化合物是由以下式表示的苯甲酰胺：##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、亚砜或磺酰基；Alk是直链或支链低碳链烷基；R.sub.3是氢或低碳基；R.sub.4是苯基或取代苯基。本发明的化合物在治疗炎症、过敏和超敏反应以及其他免疫系统疾病方面是有用的。
• Use of heterocyclic amides to inhibit tumor metastasis
  申请人：G.D. Searle & Co.

  公开号：EP0372410B1

  公开（公告）日：1993-10-20