moxifloxacin

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: moxifloxacin
• 英文别名: 7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-1-ium-6-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate
• 化学式: C₂₁H₂₄FN₃O₄
• 分子量: 401.438
• InChiKey: FABPRXSRWADJSP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  82.1
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  moxifloxacin 在 甲酸 、 氨 、 一水合肼 、 potassium hexacyanoferrate(III) 作用下， 以 乙醇 、 氯仿 、 水 为溶剂， 反应 46.0h， 生成 1-cyclopropyl-6-fluoro-8-methoxy-7-[(1S,6S)-2,8-diazabicyclo-[4.3.0]-nonane-8-yl]-quinolin-4-(1H)-one-3-acetal-4-(2,3,4-trifluorophenyl)thiosemicarbazide
  参考文献：
  名称：

  N-甲基莫西沙星醛缩4-芳基氨基硫脲类衍生 物及其制备方法和应用

  摘要：

  本发明公开了N‑甲基莫西沙星醛缩4‑芳基氨基硫脲类衍生物及其制备方法和应用，具有如下式(I)的结构通式：式I中，Ar为苯基、取代苯基、吡啶基、呋喃基或噻吩基。本发明所述N‑甲基莫西沙星醛缩4‑芳基氨基硫脲类衍生物，实现了双手性取代氟喹诺酮骨架、席夫碱亚胺及硫脲等三种优势药效团的拼合，从而增加了新化合物的抗肿瘤活性、降低对正常细胞的毒副作用，可以作为抗肿瘤活性物质开发全新结构的抗肿瘤药物。

  公开号：

  CN106854206B

文献信息

• PHARMACEUTICAL COMPOSITIONS COMPRISING PERILLYL ALCOHOL DERIVATIVES
  申请人：NEONC TECHNOLOGIES INC.

  公开号：US20160237092A1

  公开（公告）日：2016-08-18

  A pharmaceutical composition is provided which includes perillyl alcohol conjugated with a therapeutic agent and further includes and a hydrolyzable acylated aliphatic tail. A method of using the pharmaceutical composition is also provided for treating a condition or disease of a patient, e.g., cancer.

  提供了一种包括与治疗剂结合的橙皮醇和可水解的酰化脂肪尾部的药物组合物。还提供了一种使用该药物组合物治疗患者的疾病或病症的方法，例如癌症。
• Rifamycin C-11 oxime derivatives effective against drug-resistant microbes
  申请人：Li Jing

  公开号：US20050203076A1

  公开（公告）日：2005-09-15

  The invention relates to rifamycin derivatives having antimicrobial activities, including activities against drug-resistant microorganisms, specifically, the rifamycin derivatives having an oxime group at the C-11 position.

  该发明涉及具有抗微生物活性的利福霉素衍生物，包括针对耐药微生物的活性，具体来说，具有在C-11位置的肟基的利福霉素衍生物。
• [EN] RIFAMYCIN IMINO DERIVATIVES EFFECTIVE AGAINST DRUG-RESISTANT MICROBES<br/>[FR] DERIVES DE RIFAMYCINE IMINO EFFICACES CONTRES DES MICROBES PHARMACORESISTANTS
  申请人：CUMBRE INC

  公开号：WO2005070941A1

  公开（公告）日：2005-08-04

  The present invention relates to rifamycin 3-iminomethylenyl (-CH=N-) derivatives having antimicrobial activities, including activities against drug-resistant microorganisms. The claimed rifamycin derivative has a rifamycin moiety covalently linked to a linker through an iminomethylenyl (-CH=N-) group at the C-3 carbon of the rifamycin moiety and the linker is, in turn, covalently linked to a quinolone structure or its pharmacophore within the DNA gyrase and topoisomerase IV inhibitor family. The inventive rifamycins are novel and exhibit activity against both rifampin and ciprofloxacin-resistant microorganisms.

  本发明涉及具有抗微生物活性的利福霉素3-亚甲基亚胺基(-CH=N-)衍生物，包括对耐药微生物的活性。所述的利福霉素衍生物具有一个利福霉素基团，通过亚甲基亚胺基(-CH=N-)在利福霉素基团的C-3碳上与一个连接剂共价连接，而连接剂又与DNA旋转酶和拓扑异构酶IV抑制剂家族中的奎诺酮结构或其药效团共价连接。这种创新的利福霉素是新颖的，并对利福平和环丙沙星耐药微生物表现出活性。
• C-25 carbamate rifamycin derivatives with activity against drug-resistant microbes
  申请人：Combrink Keith

  公开号：US20050256096A1

  公开（公告）日：2005-11-17

  Compounds of the current invention relate to rifamycin derivatives having antimicrobial activities, including activities against drug-resistant microorganisms. More specifically, compounds of the current invention relate to C-25 carbamate derivatives of rifamycin having another functional group or pharmacophore covalently attached to this position through a carbamate linkage. The resulting compounds exert their antimicrobial activity through a dual-function mechanism and therefore exhibit reduced frequency of resistance.

  当前发明的化合物涉及具有抗微生物活性的利福霉素衍生物，包括针对耐药微生物的活性。更具体地说，当前发明的化合物涉及利福霉素的C-25氨基甲酸酯衍生物，通过氨基甲酸酯键连接到该位置的另一个功能基团或药效团。由此产生的化合物通过双重功能机制发挥其抗微生物活性，因此表现出较低的抗药性频率。
• METHOD FOR PREPARATION OF 1-CYCLOPROPYL-6-FLUORO-1,4-DIHYDRO-8-METHOXY-7-[(4AS,7AS)-OCTAHYDRO-6H-PYRROLO[3,4-B]PYRIDIN-6-YL]-4-OXO-3-QUINOLINECARBOXYLIC ACID
  申请人：DERKACH Nataliia Mykolaivna

  公开号：US20160159788A1

  公开（公告）日：2016-06-09

  This invention relates to methods for preparation of chemical compound 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[(4a8,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic acid, which comprise addition of heterocyclic amine containing protecting group, to ethyl-3-oxo-3-(2,4,5-trifluoro-3-methoxyphenyl)propanoate, followed by interaction with triethyl orthoformate, addition of cyclic amine, subsequent cyclization and formation of target product. The method for preparation claimed is technologically simple in comparison with analogue and requires no special complex technical operations, which in its turn simplifies method for preparation of this chemical compound, and reduces cost of the final product, while the commercial production utilizing the mehod claimed has low degree of environmental threat.

  本发明涉及一种制备化合物1-环丙基-6-氟-1,4-二氢-8-甲氧基-7-[(4a8,7aS)-八氢-6H-吡咯并[3,4-b]吡啶-6-基]-4-氧代-3-喹啉羧酸的方法，包括将含有保护基的杂环胺加入到乙酰基-3-氧代-3-(2,4,5-三氟-3-甲氧基苯基)丙酸乙酯中，然后与三乙基正酯发生反应，加入环状胺，随后环化并形成目标产物。与类似方法相比，本发明所声称的制备方法在技术上较为简单，不需要特殊的复杂技术操作，这简化了该化合物的制备方法，并降低了最终产品的成本，同时，利用所声称的方法进行商业生产的环境威胁程度较低。