3-[3-((6aS,10S,10aS,11aR)-8-carbamoyl-10-dimethylamino-4,6,6a,9-tetrahydroxy-5,7-dioxo-5,6a,7,10,10a,11,11a,12-octahydro-naphthacen-1-yl)-benzoylamino]-propionic acid ethyl ester | 1035975-91-7

• 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: 3-[3-((6aS,10S,10aS,11aR)-8-carbamoyl-10-dimethylamino-4,6,6a,9-tetrahydroxy-5,7-dioxo-5,6a,7,10,10a,11,11a,12-octahydro-naphthacen-1-yl)-benzoylamino]-propionic acid ethyl ester
• CAS: 1035975-91-7
• 化学式: C₃₃H₃₅N₃O₁₀
• 分子量: 633.655
• InChiKey: PYZVTJRSBJMDLW-HTYHEQNISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.47
• 重原子数：
  46.0
• 可旋转键数：
  8.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  216.79
• 氢给体数：
  6.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  3-[3-((6aS,10S,10aS,11aR)-8-carbamoyl-10-dimethylamino-4,6,6a,9-tetrahydroxy-5,7-dioxo-5,6a,7,10,10a,11,11a,12-octahydro-naphthacen-1-yl)-benzoylamino]-propionic acid ethyl ester 在 盐酸 作用下， 以 水 为溶剂， 生成 3-[3-((6aS,10S,10aS,11aR)-8-carbamoyl-10-dimethylamino-4,6,6a,9-tetrahydroxy-5,7-dioxo-5,6a,7,10,10a,11,11a,12-octahydro-naphthacen-1-yl)-benzoylamino]-propionic acid ethyl ester hydrochloride
  参考文献：
  名称：

  [EN] SUBSTITUTED TETRACYCLINE COMPOUNDS
  [FR] COMPOSÉS À BASE DE TÉTRACYCLINES SUBSTITUÉES

  摘要：

  本发明至少部分涉及治疗宿主微生物相关感染的方法，包括向宿主施用有效量的四环素化合物。

  公开号：

  WO2009128913A1
• 作为产物：
  描述：

  3-(3-硼苯甲酰胺基)丙酸乙酯 、 [4S-(4α,12aα)]-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-7-iodo-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydronaphthacene-2-carboxamide trifluoroacetate 在 palladium diacetate 、 四(三苯基膦)钯 sodium acetate 作用下， 以 异丁酰胺 、 水 为溶剂， 反应 0.33h， 生成 3-[3-((6aS,10S,10aS,11aR)-8-carbamoyl-10-dimethylamino-4,6,6a,9-tetrahydroxy-5,7-dioxo-5,6a,7,10,10a,11,11a,12-octahydro-naphthacen-1-yl)-benzoylamino]-propionic acid ethyl ester
  参考文献：
  名称：

  WO2008/127722

  摘要：

  公开号：

文献信息

• Substituted Tetracycline Compounds
  申请人：Kim Oak K.

  公开号：US20100305072A1

  公开（公告）日：2010-12-02

  The present invention pertains, at least in part, to novel substituted tetracycline compounds. These tetracycline compounds can be used to treat numerous tetracycline compound-responsive states, such as bacterial infections and neoplasms.

  本发明至少部分涉及新型替代四环素化合物。这些四环素化合物可用于治疗许多对四环素化合物敏感的疾病状态，如细菌感染和肿瘤。
• SUBSTITUTED TETRACYCLINE COMPOUNDS
  申请人：PARATEK PHARMACEUTICALS, INC.

  公开号：US20160046561A1

  公开（公告）日：2016-02-18

  The present invention pertains, at least in part, to novel substituted tetracycline compounds. These tetracycline compounds can be used to treat numerous tetracycline compound-responsive states, such as bacterial infections and neoplasms.

  本发明至少部分涉及新型取代四环素化合物。这些四环素化合物可用于治疗许多对四环素化合物敏感的疾病状态，如细菌感染和肿瘤。
• Tetracycline derivatives for the treatment of bacterial, viral and parasitic infections
  申请人：Paratek Pharmaceuticals, Inc.

  公开号：EP2455367A1

  公开（公告）日：2012-05-23

  The present invention pertains, at least in part, to novel substituted tetracycline compounds. These tetracycline compounds can be used to treat numerous tetracycline compound-responsive states, such as bacterial infections and neoplasms.

  本发明至少部分涉及新型取代的四环素化合物。这些四环素化合物可用于治疗多种四环素化合物反应状态，如细菌感染和肿瘤。
• TETRACYCLINE DERIVATIVES FOR THE TREATMENT OF BACTERIAL, VIRAL AND PARASITIC INFECTIONS
  申请人：Paratek Pharmaceuticals, Inc.

  公开号：EP3045449A1

  公开（公告）日：2016-07-20

  The present invention pertains to tetracycline derivatives. These tetracycline derivatives can be used to treat numerous tetracycline compound-responsive states, such as bacterial infections and neoplasms, viral and parasitic infections as well as inflammatory disorders, such as inflammatory disorders caused by radiation or trauma and inflammatory conditions of the skin.

  本发明涉及四环素衍生物。这些四环素衍生物可用于治疗多种四环素化合物反应状态，如细菌感染和肿瘤、病毒和寄生虫感染以及炎症性疾病，如辐射或创伤引起的炎症性疾病和皮肤炎症。
• 7-HETEROCYCLYL SUBSTITUTED SANCYCLINE DERIVATIVES FOR TREATING BACTERIAL, VIRAL AND PARASITIC INFECTIONS (E.G. MALARIA) OR INFLAMMATORY DISEASES
  申请人：Paratek Pharmaceuticals, Inc.

  公开号：EP3812372A2

  公开（公告）日：2021-04-28

  The present invention relates to tetracycline derivatives, and in particular to sancycline derivatives substituted at their 7-position by a five-membered heterocyclic ring, for use in the treatment of bacterial, viral and/or parasitic infections, such as e.g. malaria, and/or inflammatory diseases.

  本发明涉及四环素衍生物，特别是在其 7 位上被五元杂环取代的仙环素衍生物，用于治疗细菌、病毒和/或寄生虫感染，如疟疾和/或炎症性疾病。