metronidazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: metronidazole
• 英文别名: a-Hydroxyethyl-2-methyl-5-nitroimidazole；1-(2-methyl-5-nitroimidazol-1-yl)ethanol
• 化学式: C₆H₉N₃O₃
• 分子量: 171.156
• InChiKey: VUANVTIMGVANQP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  83.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  silver trifluoroacetate 、 metronidazole 以 乙醇 为溶剂， 反应 0.5h， 以77%的产率得到[Ag(metronidazole)2CF3COO]
  参考文献：
  名称：

  甲硝唑药物和所选抗衡离子 的水溶性银（i）配合物的合成，表征和抗菌活性†

  摘要：

  [Ag（MTZ）2 X]类型的一系列水溶性银（I）配合物[MTZ ＝ 1-（2-羟乙基）-2-甲基-5-硝基-1H-咪唑（甲硝唑药物）；X = NO 3 -，CLO 4 -，CF 3 COO -，BF 4 -和CH 3 SO 3 - ]通过各种Ag的反应合成（我）盐用甲硝唑（MTZ）。通过ESI-MS光谱，溶液NMR（1 H和13C）和红外光谱，以及元素分析。X射线单晶晶体学为所有配合物的形成和分子结构提供了进一步的证据。不同的抗衡离子会影响配合物的晶体堆积，从而影响最终的几何形状。：针对两种革兰氏阳性菌株的复合物的抗微生物活性的金黄色葡萄球菌ATCC 6538，表皮葡萄球菌ATCC 12228，三革兰氏阴性菌株：绿脓杆菌ATCC 15442，大肠杆菌ATCC 25922，变形杆菌hauseri ATCC 13315和酵母白色念珠菌对ATCC 10231进行了评估，并将其与适当的银盐，甲硝

  DOI：

  10.1039/c5dt00403a

文献信息

• CANCER TARGETING USING CARBONIC ANHYDRASE ISOFORM IX INHIBITORS
  申请人：Lambin Philippe

  公开号：US20130274305A1

  公开（公告）日：2013-10-17

  The present invention concerns novel carbonic anhydrase IX inhibitors comprising a nitroimidazole moiety and their use in therapy of hypoxic conditions, in particular cancer treatment, especially chemotherapy and radiotherapy. The compounds of the invention have an increased specificity for the carbonic anhydrase IX enzyme compared to the art. The present invention relates to novel nitroimidazole derivates represented by formula (1).

  本发明涉及一种新型碳酸酐酶IX抑制剂，其中包括亚硝基咪唑基团，并且其在治疗低氧条件，特别是癌症治疗，尤其是化疗和放疗方面的应用。该发明的化合物与现有技术相比具有更高的碳酸酐酶IX酶的特异性。本发明涉及由式（1）表示的新型亚硝基咪唑衍生物。
• Pharmaceutical compositions containing the cytidine monophosphate of 5-acetamido-3,5-dideoxy-D-glycero-D-galactononulosaminic acid
  申请人：C.R.C. Compagnia di Ricerca Chimica S.p.A.

  公开号：EP0120328A2

  公开（公告）日：1984-10-03

  The invention relates to pharmaceutical compositions for use in the therapy of pathological states related to disturbances of the nervous stimulus in the central (CNS) and peripheral (PNS) nervous system containing as an active substance the cytidine monophosphate of 5-acetamido -3,5- dideoxy -D- glycero -D- galactono-nulosaminic acid. Moreover the invention relates to an improved method for preparing said compound by the condensation of cytidine triphosphate (CTP) with N-acetyineuraminic acid (NANA), catalyzed by the enzyme CMP-transferase (CMP-acylneuraminate synthase) (EC 2.7.7.43).

  本发明涉及用于治疗与中枢神经系统（CNS）和外周神经系统（PNS）神经刺激紊乱有关的病理状态的药物组合物，其中含有作为活性物质的 5-acetamido -3,5- dideoxy -D- glycero -D- galactono-nulosaminic acid 的胞苷单磷酸。此外，本发明还涉及一种通过三磷酸胞苷（CTP）与 N-乙酰神经氨酸（NANA）的缩合来制备上述化合物的改进方法，该缩合由 CMP-转移酶（CMP-乙酰神经氨酸合酶）（EC 2.7.7.43）催化。
• A method for preparing the cytidine monophosphate of 5-acetamido-3,5-dideoxy-D-glycero-D-galactononulosaminic acid
  申请人：C.R.C. Compagnia di Ricerca Chimica S.p.A.

  公开号：EP0263533A2

  公开（公告）日：1988-04-13

  The invention relates to an improved method for preparing the cytidine monophosphate of 5-acetamido-3,5-dideoxy-D-­glycero-D-galactononulosaminic acid by the condensation of cytidine triphosphate (CTP) with N-acetylneuraminic acid (NANA), catalyzed by the enzyme CMP-transferase (CMP-acylneuraminate synthase) (EC 2.7.7.43). The cytidine monophosphate of 5-acetamido-3,5-dideoxy-D-glycero-D-­galactononulosaminic acid is a valuable substance for the therapy of pathological states related to disturbances of the nervous stimulus in the central (CNS) and peripheral (PNS) nervous system.

  本发明涉及一种改进的方法，通过胞苷三磷酸（CTP）与N-乙酰神经氨酸（NANA）的缩合，在CMP-转移酶（CMP-乙酰神经氨酸合酶）（EC 2.7.7.43）的催化下，制备5-乙酰氨基-3,5-二脱氧-D-甘油-D-半乳糖醛酸的胞苷单磷酸。5-acetamido-3,5-dideoxy-D-glycero-D-galactonulosaminic acid 的胞苷单磷酸是治疗与中枢神经系统（CNS）和外周神经系统（PNS）神经刺激紊乱有关的病理状态的重要物质。
• Methods and compositions for the treatment of autoimmune and inflammatory diseases associated with toll-like receptors
  申请人：The Interthyr Corporation

  公开号：EP2399578A1

  公开（公告）日：2011-12-28

  The present invention relates to the treatment of autoimmune and/or inflammatory diseases associated with over-expression of Toll-like receptor 3 (TLR3) as well as Toll-like receptor 4 (TLR4) and/or TLR3/TLR4 signaling in nonimmune cells, monocytes, macrophages, and/or dendritic cells in association with related pathologies. This invention also relates to the use of phenylmethimazoles, methimazole derivatives, and tautomeric cyclic thiones for the treatment of autoimmune and inflammatory diseases associated with Toll-like receptor 3 (TLR3) as well as Toll-like receptor 4 (TLR4) and/or TLR3/TLR4 signaling in nonimmune cells, monocytes, macrophages, and/or dendritic cells in association with related pathologies. This invention also relates to treating a subject having a disease or condition associated with abnormal Toll-like receptor 3 as well as Toll-like receptor 4 and/or TLR3/TLR4 signaling in nonimmune cells, monocytes, macrophages, and/or dendritic cells in association with related pathologies. The present invention also relates to the treatment of autoimmune-inflammatory pathologies and chemokine and cytokine-mediated diseases associated with TLR overexpression and signaling. This invention also relates to pharmaceutical formulations capable of inhibiting the IRF-3/Type 1 IFN/STAT/ISRE/IRF-1 pathway associated with the Toll-like receptor overexpression or signaling.

  本发明涉及治疗与非免疫细胞、单核细胞、巨噬细胞和/或树突状细胞中Toll样受体3（TLR3）以及Toll样受体4（TLR4）和/或TLR3/TLR4信号过度表达有关的自身免疫性和/或炎症性疾病，以及相关病理。本发明还涉及苯基甲巯咪唑、甲巯咪唑衍生物和同分异构环硫代甲烷用于治疗与非免疫细胞、单核细胞、巨噬细胞和/或树突状细胞中的Toll样受体3（TLR3）以及Toll样受体4（TLR4）和/或TLR3/TLR4信号转导相关的自身免疫性和炎症性疾病。本发明还涉及治疗与非免疫细胞、单核细胞、巨噬细胞和/或树突状细胞中 Toll 样受体 3 以及 Toll 样受体 4 和/或 TLR3/TLR4 信号异常有关的疾病或病症。本发明还涉及治疗与 TLR 过度表达和信号转导相关的自身免疫炎症性病症以及趋化因子和细胞因子介导的疾病。本发明还涉及能够抑制与 Toll 样受体过度表达或信号转导相关的 IRF-3/1型 IFN/STAT/ISRE/IRF-1 通路的药物制剂。
• Lipophilic drug compositions
  申请人：——

  公开号：US20030108596A1

  公开（公告）日：2003-06-12

  The invention is directed to biologically active lipophilic compositions comprising a biologically active covalently attached to, or encapsulated within, a lipid. Preferably, a biologically active agent is both covalently attached to a lipid and encapsulated within a lipid composition. Preferred lipid components include triglycerides and fatty acids. The resulting composition is preferably adapted for oral administration.

  本发明涉及具有生物活性的亲脂性组合物，该组合物包含共价连接到脂质上或封装在脂质中的生物活性物质。最好是生物活性剂既共价连接到脂质上，又封装在脂质组合物中。首选的脂质成分包括甘油三酯和脂肪酸。所得组合物最好适合口服。