(4aS)-4c-dimethylamino-3,6c,10,12,12a-pentahydroxy-6t-methyl-1,11-dioxo-(4ar,5at,12ac)-1,4,4a,5,5a,6,11,12a-octahydro-naphthacene-2-carboxylic acid amide | 79-85-6

• 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: (4aS)-4c-dimethylamino-3,6c,10,12,12a-pentahydroxy-6t-methyl-1,11-dioxo-(4ar,5at,12ac)-1,4,4a,5,5a,6,11,12a-octahydro-naphthacene-2-carboxylic acid amide
• 英文别名: tetracycline；(4R,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide；Quatrimycin, 4-Epi-tetracyclin；4-epi-Tetracyclin；4-Epitetracyclin；Quatrimycin
• CAS: 79-85-6
• 化学式: C₂₂H₂₄N₂O₈
• 分子量: 444.441
• InChiKey: OFVLGDICTFRJMM-MEIPOBBDSA-N

物化性质

• 熔点：
  170-171 °C (decomp)
• 沸点：
  790.6±60.0 °C(Predicted)
• 密度：
  1?+-.0.1 g/cm3(Predicted)
• 溶解度：
  甲醇（微溶）、水（微溶）

计算性质

• 辛醇/水分配系数(LogP)：
  -0.21
• 重原子数：
  32.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  181.62
• 氢给体数：
  6.0
• 氢受体数：
  9.0

文献信息

• [EN] CARBONATE PRODRUGS AND METHODS OF USING THE SAME<br/>[FR] PROMÉDICAMENTS CARBONATÉS ET LEURS MÉTHODES D'UTILISATION
  申请人：NEUROGESX INC

  公开号：WO2009143297A1

  公开（公告）日：2009-11-26

  The present invention provides carbonate prodrugs which comprise a carbonic phosphoric anhydride prodrug moiety attached to the hydroxyl or carboxyl group of a parent drug moiety. The prodrugs may provide improved physicochemical properties over the parent drug. Also provided are methods of treating a disease or condition that is responsive to the parent drug using the carbonate prodrugs, as well as kits and unit dosages.

  本发明提供了碳酸盐前药，其包括连接到母药基团的羟基或羧基上的碳酸磷酸酐前药基团。这些前药可能比母药具有改进的物理化学性质。还提供了使用碳酸盐前药治疗对母药具有响应的疾病或症状的方法，以及配套工具和单剂量。
• [EN] TYPE II TOPOISOMERASE INHIBITORS AND METHODS OF MAKING AND USING THEREOF<br/>[FR] INHIBITEURS DE TOPOISOMÉRASE DE TYPE II ET PROCÉDÉS DE PRODUCTION ET D'UTILISATION DE CES DERNIERS
  申请人：OHIO STATE INNOVATION FOUNDATION

  公开号：WO2018195098A1

  公开（公告）日：2018-10-25

  Disclosed are Type II Topoisomerase Inhibitors, analogs thereof, pharmaceutical compositions thereof, and methods of making and using these compounds and compositions. Methods of using the disclosed compounds to treat infections, such as MRSA, MDR P. aeruginosa, and other pathogens are also described.

  披露了II型拓扑异构酶抑制剂及其类似物、药物组合物以及制备和使用这些化合物和组合物的方法。还描述了利用所披露的化合物治疗感染，如MRSA、MDR P. aeruginosa和其他病原体的方法。
• INHIBITION AND DIAGNOSTICS OF EMERGING TETRACYCLINE RESISTANCE ENZYMES
  申请人：Tolia Niraj

  公开号：US20170369864A1

  公开（公告）日：2017-12-28

  The present disclosure provides compositions and methods for treating bacterial infections in a subject. The methods comprise administering a compound that binds a FAD-dependent flavoenzyme and a tetracycline, analog, derivative, or pharmaceutically acceptable salt thereof.

  本公开提供了用于治疗受体内细菌感染的组合物和方法。该方法包括给予结合FAD依赖性黄素酶和四环素、类似物、衍生物或其药用可接受盐的化合物。
• POLYLACTIDE COMPOSITIONS AND USES THEREOF
  申请人：Moller Michael

  公开号：US20090281068A1

  公开（公告）日：2009-11-12

  The present invention provides compositions and methods relating to polylactides which may be used for drug delivery (e.g., parenteral delivery), wherein an organic solvent is not required.

  本发明提供了关于聚乳酸的组合物和方法，可用于药物传递（例如，肠外给药），其中不需要有机溶剂。
• [EN] CRYSTALLINE SALTS OF (4S,4AS,5AR,12AS)-4-DIMETHYLAMINO-3,10,12,12A-TETRAHYDROXY-7-[(METHOXY(METHYL)AMINO)-METHYL]-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-NAPHTHACENE-2-CARBOXYLIC ACID AMIDE AND METHODS OF USING THE SAME<br/>[FR] SELS CRISTALLINS D'AMIDE DE L'ACIDE (4S,4AS,5AR,12AS)-4-DIMÉTHYLAMINO- 3,10,12,12A-TÉTRAHYDROXY-7-[(MÉTHOXY(MÉTHYL)AMINO)-MÉTHYL]- 1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-NAPHTACÈNE-2-CARBOXYLIQUE ET PROCÉDÉS D'UTILISATION ASSOCIÉS
  申请人：PARATEK PHARM INNC

  公开号：WO2012155146A1

  公开（公告）日：2012-11-15

  A crystalline mono hydrochloride salt of (4S,4aS,5aR,12aS)-4-dimethylamino- 3,10, 12, 12a-tetrahydroxy-7-[(methoxy(methyl)amino)-methyl]- 1, 11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-naphthacene-2-carboxylic acid amide is disclosed having improved stability. In addition, a crystalline mono mesylate salt and crystalline mono sulfate salt of (4S,4aS,5aR,12aS)-4-dimethylamino-3,10,12,12a-tetrahydroxy-7- [(methoxy(methyl)amino)-methyl]-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-naphthacene- 2-carboxylic acid amide are also disclosed having improved stability. A pharmaceutical composition containing the crystalline salts and methods of treating inflammatory skin disorders and bacterial infections comprising administering the crystalline salts are also disclosed.

  本公开揭示了一种晶体单盐，其为（4S，4aS，5aR，12aS）-4-二甲基氨基-3,10,12,12a-四羟基-7-[(甲氧基(甲基)氨基)-甲基]-1,11-二氧基-1,4,4a,5,5a,6,11,12a-八氢-萘茶菲-2-羧酸酰胺，并具有改善的稳定性。此外，本公开还揭示了（4S，4aS，5aR，12aS）-4-二甲基氨基-3,10,12,12a-四羟基-7-[(甲氧基(甲基)氨基)-甲基]-1,11-二氧基-1,4,4a,5,5a,6,11,12a-八氢-萘茶菲-2-羧酸酰胺的晶体单甲磺酸盐和晶体单硫酸盐，具有改善的稳定性。还公开了含有这些晶体盐的药物组合物以及治疗炎症性皮肤疾病和细菌感染的方法，包括通过给予这些晶体盐进行治疗。