3-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-N-methyl-N-[2-(2-pyridinyl)ethyl]propanamide monohydrochloride

• 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-methyl-N-[2-(2-pyridinyl)ethyl]propanamide monohydrochloride
• 英文别名: 3-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-N-methyl-N-(2-pyridin-2-ylethyl)propanamide;hydron;chloride
• 化学式: C₂₅H₃₆N₂O₂S*ClH
• 分子量: 465.1
• InChiKey: MCQQQXHGLCUPHW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.99
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  78.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-[[3,5-bis(1,1-dimethylethyl)-4-hydroxy-phenyl]thio]-N-methyl-N-[2-(2-pyridinyl)ethyl]propanamide 、 盐酸 在 乙醚 、 diethyl ether ethyl acetate 作用下， 以 乙醚 、 异丙醇 为溶剂， 反应 20.0h， 以to give the title compound (700 mg), m.p. ca. 153°-156° C的产率得到3-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-N-methyl-N-[2-(2-pyridinyl)ethyl]propanamide monohydrochloride
  参考文献：
  名称：

  Acylaminoalkylpyridineamides as inhibitors of metastasis

  摘要：

  本发明涉及一种通过向需要该治疗的动物施用由以下式表示的丙烯酰胺基吡啶酰胺来抑制动物肿瘤转移的方法：##STR1## 其中：R.sub.1和R.sub.2是卤素、苯基、取代苯基和##STR2##基团，其中n、m和p独立地为1到8的整数，且n+m+p小于或等于10；x为硫醇或亚砜基；Alk.sub.1为1到6个碳原子的直链或支链低级烷基，R.sub.3为氢或低级烷基，Alk.sub.2为1到4个碳原子的直链或支链烷基；R.sub.4选自氢、卤素、羟基、低级烷基和低级烷氧基的群；或其药学上可接受的盐，在有效量下抑制肿瘤转移。

  公开号：

  US05030642A1

文献信息

• Acylaminoalkylpyridines ad use in treatment of inflammation and allergy
  申请人：G. D. Searle & Co.

  公开号：US04663333A1

  公开（公告）日：1987-05-05

  The compounds of this invention are acylaminoalkylpyridines representd 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 n+m+p is equal to or less than 10; X is thio, sulfinyl or sulfonyl; Alk.sub.1 is straight or branched chain lower alkylene of 1 to 6 carbon atoms, R.sub.3 is lower alkyl, Alk.sub.2 is straight or branched chain alkylene of 1 to 4 carbon atoms; R.sub.4 is selected from the group consisting of hydrogen, halo, hydroxy, lower alkyl and lower alkoxy; and the pharmaceutically acceptable salts thereof. 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酰基氨基烷基吡啶：##STR1## 其中：R.sub.1和R.sub.2是卤素、苯基、取代苯基和##STR2##基团（其中n、m和p独立地为1到8的整数，且n+m+p小于或等于10）中的相同或不同成员；X是硫、亚硫酰或磺酰；Alk.sub.1是1到6个碳原子的直链或支链低级烷基，R.sub.3是低级烷基，Alk.sub.2是1到4个碳原子的直链或支链烷基；R.sub.4选自氢、卤素、羟基、低级烷基和低级烷氧基的群；以及其药学上可接受的盐。本发明的化合物在治疗炎症、过敏和超敏反应以及免疫系统的其他疾病方面是有用的。
• Method of stimulating superoxide generation
  申请人：G. D. Searle and Co.

  公开号：US05189038A1

  公开（公告）日：1993-02-23

  The present invention is directed to a method of stimulating superoxide generation using phenolic thioethers which stimulate the generation of superoxide.

  本发明涉及一种使用激发超氧化物生成的酚硫醚的方法，该酚硫醚能够刺激超氧化物的生成。
• Novel aminoalkylpyrdineamides
  申请人：G.D. Searle & Co.

  公开号：EP0190683A2

  公开（公告）日：1986-08-13

  The compounds of this invention are aminoalkylpyridineamides 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 n + m + p is equal to or less than 10; x is thio, sulfinyl or sulfonyl; Alk, is straight or branched chain lower alkylene of 1 to 6 carbon atoms, R3 is lower alkyl, Alk2 is straight or branched chain alkylene of 1 to 4 carbon atoms: R4 is selected from the group consisting of hydrogen, halo, hydroxy, lower alkyl and lower alkoxy; and the pharmaceutically acceptable salts thereof. 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子表示的氨基烷基吡啶酰胺 其中R和R2是由卤代物、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 1 至 6 个碳原子的直链或支链低级亚烷基，R3 为低级亚烷基，Alk2 为 1 至 4 个碳原子的直链或支链亚烷基：R4 选自氢、卤素、羟基、低级烷基和低级烷氧基组成的组，及其药学上可接受的盐。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。
• Acylaminoalkylpyridineamides as inhibitors of tumor metastasis
  申请人：G.D. Searle & Co.

  公开号：EP0372409A2

  公开（公告）日：1990-06-13

  The present invention relates to a method of inhibiting tumor metastasis in an animal by administering to an animal in need of such treatment an acylaminoalkylpyridineamides represented by the formula wherein: R₁ 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 interger of from 1 to 8 provided n + m + p is equal to or less than 10; x is thio or sulfinyl; Alk₁ is straight or branched chain lower alkylene of 1 to 6 carbon atoms, R₃ is hydrogen or lower alkyl, Alk₂ is straight or branched chain alkylene of 1 to 4 carbon atoms; R₄ is selected from the group consisting of hydrogen, halo, hydroxy, lower alkyl and lower alkoxy; or a pharmaceutically acceptable salt thereof, in an amount effective to inhibit tumor metastasis.

  本发明涉及一种抑制动物肿瘤转移的方法，其方法是给需要这种治疗的动物施用由 式表示的酰氨基烷基吡啶酰胺类化合物 其中R₁和R₂是由卤素、苯基、取代苯基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 为硫代或亚磺酰基；烷₁ 为 1 至 6 个碳原子的直链或支链低级亚烷基，R₃ 为氢或低级亚烷基，烷₂ 为 1 至 4 个碳原子的直链或支链亚烷基；R₄选自氢、卤素、羟基、低级烷基和低级烷氧基组成的组；或其药学上可接受的盐，其用量对抑制肿瘤转移有效。
• US4663333A
  申请人：——

  公开号：US4663333A

  公开（公告）日：1987-05-05