2,6-bis(1-pyrrolidinylmethyl)-4-benzamidophenol | 90446-66-5

• 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: 2,6-bis(1-pyrrolidinylmethyl)-4-benzamidophenol
• 英文别名: N-([3,5-bis(pyrrolidinylmethyl)-4-hydroxy]benzoyl)aniline；4-Hydroxy-N-phenyl-3,5-bis(1-pyrrolidinylmethyl)benzamide；4-hydroxy-N-phenyl-3,5-bis(pyrrolidin-1-ylmethyl)benzamide
• CAS: 90446-66-5
• 化学式: C₂₃H₂₉N₃O₂
• 分子量: 379.502
• InChiKey: WFYDBDOXSCEPSH-UHFFFAOYSA-N

物化性质

• 熔点：
  154-155 °C(Solv: ethanol (64-17-5))
• 沸点：
  494.3±45.0 °C(Predicted)
• 密度：
  1.248±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 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：

  4-羟基-N-苯基苯甲酰胺 以11的产率得到2,6-bis(1-pyrrolidinylmethyl)-4-benzamidophenol
  参考文献：
  名称：

  J. Med. Chem. 1985, 28, 295-298

  摘要：

  DOI：

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，其化学式为##STR1##其中X为##STR2##其中R.sub.1为氢、较低的烷基、苯基、苄基、肉桂酰基、噻吩、呋喃、吡咯、咪唑、吡唑、噁唑或噻唑；W为氢或羟基；(Y).sub.A位于W的邻位，是具有--CH.sub.2 NR.sub.2 R.sub.3式的氨基较低烷基，其中R.sub.2和R.sub.3相同或不同，可以是较低的烷基，或R.sub.2和R.sub.3可以与N一起形成吡咯烷、哌啶或环庚烯环，A为2；n和m独立地从0到5；R为直链或支链的C.sub.1-C.sub.10烷基，直链或支链的C.sub.3-C.sub.10环烷基，直链或支链的C.sub.2-C.sub.4烯基或直链或支链的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。
• Synthesis of new polyoxin derivatives and their activity against chitin synthase from Candida albicans
  作者：Gerhard Emmer、Neil S. Ryder、Maximilian A. Grassberger

  DOI：10.1021/jm00381a003

  日期：1985.3

  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.
• 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
• EP0113778A4
  申请人：——

  公开号：EP0113778A4

  公开（公告）日：1985-06-06