O-2,6-Diamino-2,3,4,6-tetradeoxy-I(2)-L-threo-hexopyranosyl-(1a3)-O-I(2)-D-ribofuranosyl-(1a5)-O-[2-amino-2,3,4-trideoxy-I+/--D-erythro-hexopyranosyl-(1a4)]-N1-[(2S)-4-amino-2-hydroxy-1-oxobutyl]-2-deoxy-D-streptamine | 1215860-44-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: O-2,6-Diamino-2,3,4,6-tetradeoxy-I(2)-L-threo-hexopyranosyl-(1a3)-O-I(2)-D-ribofuranosyl-(1a5)-O-[2-amino-2,3,4-trideoxy-I+/--D-erythro-hexopyranosyl-(1a4)]-N1-[(2S)-4-amino-2-hydroxy-1-oxobutyl]-2-deoxy-D-streptamine
• 英文别名: (2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-3-[(2S,3R,4S,5R)-4-[(2R,3R,6R)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-[(2R,3R,6S)-3-amino-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide
• CAS: 1215860-44-8
• 化学式: C₂₇H₅₂N₆O₁₂
• 分子量: 652.7
• InChiKey: BBQZTRMOXUILTO-XKROJNADSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -6.9
• 重原子数：
  45
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  316
• 氢给体数：
  11
• 氢受体数：
  17

文献信息

• ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS
  申请人：Aggen James Bradley

  公开号：US20110275586A1

  公开（公告）日：2011-11-10

  Compounds having antibacterial activity are disclosed. The compounds have the following structure (I): including stereoisomers, pharmaceutically acceptable salts and prodrugs thereof, wherein Q 1 , Q 2 , Z 1 , Z 2 , Z 3 , Z 4 , R 1 , R 2 and R 3 are as defined herein. Methods associated with preparation and use of such compounds, as well as pharmaceutical compositions comprising such compounds, are also disclosed.

  本文披露了具有抗菌活性的化合物。该化合物具有以下结构（I）：包括立体异构体、药学上可接受的盐和前药，其中Q1、Q2、Z1、Z2、Z3、Z4、R1、R2和R3的定义如本文所述。本文还披露了与制备和使用此类化合物相关的方法，以及包含此类化合物的制药组合物。
• US8399419B2
  申请人：——

  公开号：US8399419B2

  公开（公告）日：2013-03-19