3,3-Dimethyl-8-morpholin-4-yl-6-phenacylsulfanyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,3-Dimethyl-8-morpholin-4-yl-6-phenacylsulfanyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
• 化学式: C₂₃H₂₅N₃O₃S
• mdl: MFCD00698537
• 分子量: 423.5
• InChiKey: GURONSBEPSPNLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• Antimicrobial Potentiators
  申请人：MICROBIOTIX, INC.

  公开号：US20160075714A1

  公开（公告）日：2016-03-17

  Novel compounds are disclosed having the structure of Formula I: wherein, n is an integer from 1 to 5; X is —CN, —F, —Cl, —Br, —I, —NO 2 ; W is S, SO, SO 2 , O, NH, or NR 5 ; R 5 is alkyl, aralkyl, alkenyl, or alkynyl; Y is O, S; Z is NR 1 R 2 or heterocycloalkyl; R 1 , R 2 are, independently, hydrogen, alkyl, aralkyl, alkenyl, alkynyl, or cycloalkyl and may be optionally substituted with halo, hydroxy, alkoxy, amino, alkylamino, carboxy, alkoxycarbonyl, or nitrile groups; R 3 and R 4 are, independently, hydrogen, alkyl, aralkyl, alkenyl, alkynyl, or cycloalkyl and may be optionally substituted with halo, hydroxy, alkoxy, amino, alkylamino, carboxy, alkoxycarbonyl, or nitrile groups, and may together form a cyclic structure; and Ar is mono-, di-, or tri-substituted phenyl or heteroaryl, a pharmaceutically acceptable salts thereof. The compounds are potent bacterial efflux pump inhibitors (EPIs). Such compounds are useful to potentiate the antimicrobial activity of antimicrobial compounds such as beta-lactam antibiotics and quinolone antibiotics against Gram-negative bacteria.
• US9540389B2
  申请人：——

  公开号：US9540389B2

  公开（公告）日：2017-01-10
• [EN] ANTIMICROBIAL POTENTIATORS<br/>[FR] POTENTIALISATEURS ANTIMICROBIENS
  申请人：MICROBIOTIX INC

  公开号：WO2014179784A2

  公开（公告）日：2014-11-06

  Novel compounds are disclosed having the structure of Formula I: wherein, n is an integer from 1 to 5; X is -CN, -F, -CI, -Br, -I, -N02; W is S, SO, S02, O, NH, or NR5; R5 is alkyl, aralkyl, alkenyl, or alkynyl; Y is O, S; Z is NR1R2 or heterocycloalkyl; R1, R2 are, independently, hydrogen, alkyl, aralkyl, alkenyl, alkynyl, or cycloalkyl and may be optionally substituted with halo, hydroxy, alkoxy, amino, alkylamino, carboxy, alkoxycarbonyl, or nitrile groups; R3 and R4 are, independently, hydrogen, alkyl, aralkyl, alkenyl, alkynyl, or cycloalkyl and may be optionally substituted with halo, hydroxy, alkoxy, amino, alkylamino, carboxy, alkoxycarbonyl, or nitrile groups, and may together form a cyclic structure; and Ar is mono-, di-, or tri-substituted phenyl or heteroaryl, a pharmaceutically acceptable salts thereof. The compounds are potent bacterial efflux pump inhibitors (EPIs). Such compounds are useful to potentiate the antimicrobial activity of antimicrobial compounds such as beta-lactam antibiotics and quinolone antibiotics against Gram-negative bacteria.