| 153621-82-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 四环素类
• CAS: 153621-82-0
• 化学式: C₃₀H₃₉N₅O₁₀
• 分子量: 629.667
• InChiKey: LQPRZQPNCQXEHV-WTONSKIMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.65
• 重原子数：
  45.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  232.06
• 氢给体数：
  7.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 0.17h， 生成 [4S-(4aα,12aα)]-9-[(HNAc)NH]-4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide trihydrochloride
  参考文献：
  名称：

  Bactericidal activity of extended 9-glycyl-amido-minocyclines

  摘要：

  The need for self-protecting polymer or alloy implants resistant to a broad spectrum of bacterial challenges led us to investigate covalent bonding of minocycline (MIN), a tetracycline derivative, to polystyrene beads and to titanium alloy foils by oligoethylene glycol spacers. 9-Hydrazino-acetyl-amido-MIN, and simpler glycylcycline derivatives, retained minimum inhibitory concentration ( MIC) against Staphylococcus aureus comparable to MIN. However, PEG-glycyl-amido-MIN showed very low activity. Hence, we coupled 9-hydrazino-acetyl-amido-MIN to the aldehyde termini of oligoethylene glycol spacers bonded to polystyrene and titanium alloy surfaces to form acid-releasable hydrazone linkages. 9-Hydrazino-acetyl-amido-MIN was released from the monolayers more rapidly at pH 5.0 than at pH 7.4. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.09.077
• 作为产物：
  描述：

  <4S-(4α,12aα)>-4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-2-naphthacenecarboxamide disulfate 在 palladium on activated charcoal 硫酸 、 氢气 、 sodium acetate 作用下， 以 四氢呋喃 、 乙二醇甲醚 、 水 为溶剂， 反应 3.5h， 生成
  参考文献：
  名称：

  Glycylcyclines. 1. A new generation of potent antibacterial agents through modification of 9-aminotetracyclines

  摘要：

  This report describes the discovery of a new generation of tetracycline antibacterial agents, the ''glycylcyclines''. These agents are notable for their activity against a broad spectrum of tetracycline-susceptible and -resistant Gram-negative and Gram-positive aerobic and anaerobic bacteria possessing various classes of tetracycline-resistant determinants [tet B (efflux), tet M (ribosomal protection)]. The design and synthesis of a number of 7-substituted 9-substituted-amido 6-demethyl-6-deoxytetracyclines are described.

  DOI：

  10.1021/jm00027a023