N-(benzoyl)3,5-bis(piperidinylmethyl)-4-hydroxyaniline | 81079-98-3

• 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: N-(benzoyl)3,5-bis(piperidinylmethyl)-4-hydroxyaniline
• 英文别名: N-[4-hydroxy-3,5-bis(piperidin-1-ylmethyl)phenyl]benzamide
• CAS: 81079-98-3
• 化学式: C₂₅H₃₃N₃O₂
• 分子量: 407.556
• InChiKey: OMQKGERPLBWQDT-UHFFFAOYSA-N

物化性质

• 沸点：
  491.5±45.0 °C(Predicted)
• 密度：
  1.200±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  55.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  苯甲酰氯 、 alkaline earth salt of/the/ methylsulfuric acid 在 三乙胺 作用下， 以 乙醇 、 水 为溶剂， 反应 6.0h， 生成 N-(benzoyl)3,5-bis(piperidinylmethyl)-4-hydroxyaniline
  参考文献：
  名称：

  Synthesis of new polyoxin derivatives and their activity against chitin synthase from Candida albicans

  摘要：

  Two analogues of L-alanylpolyoxin C with a modified peptide bond were synthesized and tested for inhibition of chitin synthase in Candida albicans. N-Methylation of the peptide bond (compound 13) or the replacement of it by NH2CH2 (compound 9) led to loss of activity in the enzyme assay. A novel analogue (compound 5) of nikkomycin was synthesized from uracil polyoxin C and (2S,3R)-3-hydroxyhomotyrosine, a component of echinocandin C. Despite high activity in the chitin synthase assay, 5 had no inhibitory effect on cells of C. albicans.

  DOI：

  10.1021/jm00381a003

文献信息

• Aryl substituted aminomethyl benzene derivatives having antiarrhythmic
  申请人：E. I. Du Pont de Nemours and Company

  公开号：US04748184A1

  公开（公告）日：1988-05-31

  The present invention relates to new compounds of the formula ##STR1## wherein X is ##STR2## wherein R.sub.1 is hydrogen, lower alkyl, phenyl, benzyl, cinnamoyl, thiophene, furan, pyrrole, imidazole, pyrazole oxazole or thiazole; W is hydrogen or hydroxy; (Y).sub.A is positioned ortho to W and is an aminoloweralkyl having the formula --CH.sub.2 NR.sub.2 R.sub.3 where R.sub.2 and R.sub.3 are the same or different and may be lower alkyl or R.sub.2 and R.sub.3 may together with N form a pyrrolidine, piperidine or azepine ring, and A is 2; n and m are independently from 0 to 5; and R is straight or branched C.sub.1 -C.sub.10 alkyl, straight or branched C.sub.3 -C.sub.10 cycloalkyl, straight or branched C.sub.2 -C.sub.4 alkenyl or straight or branched C.sub.2 -C.sub.4 alkynyl, or a pharmaceutically acceptable salt thereof. These compounds are useful in the treatment of various cardiac arrhythmias.

  本发明涉及新化合物的公式##STR1##其中X是##STR2##其中R.sub.1是氢，低烷基，苯基，苄基，肉桂酰基，噻吩，呋喃，吡咯，咪唑，吡唑，噁唑或噻唑;W是氢或羟基; (Y).sub.A位于W的正交位置，是具有公式--CH.sub.2 NR.sub.2 R.sub.3的氨基低烷基，其中R.sub.2和R.sub.3相同或不同，可以是低烷基或R.sub.2和R.sub.3可以与N一起形成吡咯烷，哌嗪或氮杂环；n和m独立地为0到5；和R是直链或支链C.sub.1-C.sub.10烷基，直链或支链C.sub.3-C.sub.10环烷基，直链或支链C.sub.2-C.sub.4烯基或直链或支链C.sub.2-C.sub.4炔基，或其药学上可接受的盐。这些化合物在治疗各种心律失常方面是有用的。
• Aryl substituted aminomethyl benzene derivatives
  申请人：E. I. Du Pont de Nemours and Company

  公开号：US04755527A1

  公开（公告）日：1988-07-05

  The present invention relates to new compounds of the formula ##STR1## where X is ##STR2## alkylene, or --S--where R.sub.1 is hydrogen, alkyl, or aryl; W is hydrogen, hydroxy, amino, alkyloxy, aryloxy, O-alkyl, or O-aralkyl; (Y).sub.A) is --CH.sub.2 NR.sub.2 R.sub.3 where R.sub.2 and R.sub.3 may be hydrogen, substituted alkyls, aryls, or together with N form a 5 to 7 membered heterocyclic group; and Ar is a substituted or unsubstituted aryl. These compounds are useful in the treatment of various cardiac arrhythmias.

  本发明涉及新的化合物，其化学式为## STR1 ##其中X为## STR2 ##烷基，或-S-，其中R.sub.1是氢，烷基或芳基;W是氢，羟基，氨基，烷氧基，芳氧基，O-烷基或O-芳基烷基;（Y）.sub.A）是--CH.sub.2 NR.sub.2 R.sub.3，其中R.sub.2和R.sub.3可以是氢，取代烷基，芳基，或者与N一起形成5到7元杂环基;和Ar是取代或未取代的芳基。这些化合物在治疗各种心律失常方面有用。
• Aminomethyl benzanilides
  申请人：American Hospital Supply Corporation

  公开号：US04562201A1

  公开（公告）日：1985-12-31

  The present invention relates to new compounds of the formula ##STR1## where X is ##STR2## alkylene, or --S-- where R.sub.1 is hydrogen, alkyl, or aryl; W is hydrogen, hydroxy, amino, alkyloxy, aryloxy, O-alkyl, or O-aralkyl; (Y).sub.A is --CH.sub.2 NR.sub.2 R.sub.3 where R.sub.2 and R.sub.3 may be hydrogen, substituted alkyls, aryls, or together with N form a 5 to 7 membered heterocyclic group; and Ar is a substituted or unsubstituted aryl. These compounds are useful in the treatment of various cardiac arrhythmias.

  本发明涉及一种新的化合物，其化学式为##STR1##其中X为##STR2##烷基，或--S--，其中R.sub.1为氢，烷基或芳基；W为氢，羟基，氨基，烷氧基，芳氧基，O-烷基或O-芳基烷基；(Y).sub.A为--CH.sub.2 NR.sub.2 R.sub.3，其中R.sub.2和R.sub.3可以是氢，取代烷基，芳基，或与N一起形成一个5到7个成员的杂环基；Ar为取代或未取代的芳基。这些化合物在治疗各种心律失常方面有用。
• STOUT, D. M.;MATIER, W. L.;BARCELON-YANG, C.;REYNOLDS, R. D.;BROWN, B. S., J. MED. CHEM., 1985, 28, N 3, 295-298
  作者：STOUT, D. M.、MATIER, W. L.、BARCELON-YANG, C.、REYNOLDS, R. D.、BROWN, B. S.

  DOI：——

  日期：——
• ARYL SUBSTITUTED AMINOMETHYL BENZENE DERIVATIVES USEFUL AS ANTIARRHYTHMIC AGENTS
  申请人：AMERICAN HOSPITAL SUPPLY CORPORATION

  公开号：EP0113778A1

  公开（公告）日：1984-07-25