<4S-(4α,12aα)>-4,7-bis(dimethylamino)-9-<<(dimethylamino)acetyl>amino>-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 四环素类
• 英文名称: <4S-(4α,12aα)>-4,7-bis(dimethylamino)-9-<<(dimethylamino)acetyl>amino>-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide
• 英文别名: 9-N,N-dimethylglycylamido-6-demethyl-6-deoxytetracycline；9-(N,N-dimethylglycylamido)-minocycline；DMG-minocycline；[4S-(4α,4aα,5aα,12aα)]-4,7-bis(dimethylamino)-9-[(dimethyamino)acetylamino]-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide；(4S-(4α,12aα))-4,7-bis(dimethylamino)-9-{[(dimethylamino)acetyl]amino}-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide
• 化学式: C₂₇H₃₅N₅O₈
• 分子量: 557.604
• InChiKey: CTFJMTPWQZXWGH-ISIOAQNYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.31
• 重原子数：
  40.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  196.97
• 氢给体数：
  6.0
• 氢受体数：
  11.0

反应信息

• 作为产物：
  描述：

  盐酸米诺环素 在 palladium on activated charcoal N,N-二甲基丙烯基脲 、 硫酸 、 氢气 、 sodium carbonate 、 potassium nitrate 作用下， 以 乙二醇甲醚 、 乙腈 为溶剂， 25.0 ℃ 、275.79 kPa 条件下， 反应 3.5h， 生成 <4S-(4α,12aα)>-4,7-bis(dimethylamino)-9-<<(dimethylamino)acetyl>amino>-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide
  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

文献信息

• OXAZOLE DERIVATIVES OF TETRACYCLINES
  申请人：Sum Phaik-Eng

  公开号：US20080177080A1

  公开（公告）日：2008-07-24

  This invention provides compounds of the formula: wherein A″, X and Y are defined in the specification. These compounds are useful as antibacterial agents.

  这项发明提供了以下式子的化合物：其中A″，X和Y在说明书中有定义。这些化合物可用作抗菌剂。
• Oxazole, derivatives of tetracyclines
  申请人：Wyeth LLC

  公开号：EP2157085A1

  公开（公告）日：2010-02-24

  This invention provides compounds of the formula: wherein A", X and Y are defined in the specification. These compounds are useful as antibacterial agents or may be hydrolysed to give 9-(2-substituted aminomethylcarbonylamino)substituted-6-demethyl-6-deoxytetracycline derivatives.

  本发明提供了式中的化合物： 其中 A"、X 和 Y 在说明书中定义。这些化合物可用作抗菌剂，也可水解得到 9-(2-取代氨甲基羰基氨基)取代-6-去甲基-6-脱氧四环素衍生物。
• 7-And 9-Carbamate, Urea, Thiourea, Thiocarbamate, And Heteroaryl-Amino Substituted Tetracycline Compounds
  申请人：Nelson Mark L.

  公开号：US20110092467A1

  公开（公告）日：2011-04-21

  Substituted tetracycline compounds, methods of synthesis, and methods of use are discussed. Tetracyclines useful for treating tetracycline related disorders are also discussed. Intermediates useful for synthesizing other tetracycline compounds are also included.
• US7176225B2
  申请人：——

  公开号：US7176225B2

  公开（公告）日：2007-02-13
• US7365087B2
  申请人：——

  公开号：US7365087B2

  公开（公告）日：2008-04-29