(R,S)-10-(1-aminocyclopropyl)-9-fluoro-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido<1,2,3-de>-1,4-benzoxazine-6-carboxylic acid

• 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: (R,S)-10-(1-aminocyclopropyl)-9-fluoro-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido<1,2,3-de>-1,4-benzoxazine-6-carboxylic acid
• 英文别名: 10-(1-aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido<1,2,3-de><1,4>benzoxazine-6-carboxylic acid；T 3761；10-(1-Aminocyclopropyl)-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic acid；6-(1-azaniumylcyclopropyl)-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylate
• 化学式: C₁₆H₁₅FN₂O₄
• 分子量: 318.305
• InChiKey: XAGMUUZPGZWTRP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  92.9
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  Ethyl 4-(1-ethoxycarbonyloxycarbonylcyclopropyl)-2,3,5-trifluorobenzoate 在 palladium on activated charcoal sodium hydroxide 、 sodium azide 、 氢气 、 potassium carbonate 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 乙醇 、 水 、 溶剂黄146 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 5.0~100.0 ℃ 、101.33 kPa 条件下， 反应 49.0h， 生成 (R,S)-10-(1-aminocyclopropyl)-9-fluoro-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido<1,2,3-de>-1,4-benzoxazine-6-carboxylic acid
  参考文献：
  名称：

  Pyridonecarboxylic Acids as Antibacterial Agents. VIII. Synthesis and Structure-Activity Relationship of 7-(1-Aminocyclopropyl)-4-oxo-1,8-naphthyridine-3-carboxylic Acids and 7-(1-Aminocyclopropyl)-4-oxoquinoline-3 carboxylic Acids.

  摘要：

  在7位含有1-氨基环丙基的4-氧代-1,8-萘啶酸和4-氧代喹啉-3-羧酸（2a、b和3a-l）已经合成并进行了体外抗菌活性评估。三种喹诺酮（3d、h、i）对革兰阳性和革兰阴性菌表现出强效的抗菌活性，与环丙沙星（CPFX）和氧氟沙星（OFLX）相媲美。在这三种化合物中，3i（一种OFLX类似物）获得了最佳的药理学和药代动力学特征，其毒性远低于三种参考喹诺酮（1、CPFX和OFLX）。

  DOI：

  10.1248/cpb.42.2063

文献信息

• SUSTAINED-RELEASE ORAL OINTMENT
  申请人：TOYAMA CHEMICAL CO., LTD.

  公开号：EP0788801A1

  公开（公告）日：1997-08-13

  The preent invention relates to a sustained-release oral ointment which comprises a hydrophobic ointment base, an adhesive substance, an aluminum compound and a drug. The ointment is useful as a sustained-release oral ointment which has applicability to an oral mucosa, particularly to a peridontal pocket, sustained-release properties to supply a drug to affected part over a long period of time while maintaining the concentration thereof at a sufficiently high level, and enhanced ratio of utilization of drug (the ratio of the total amount of drug released to affected part to the total amount of drug in the ointment applied).

  本发明涉及一种缓释口服软膏，它由疏水性软膏基质、粘合物质、铝化合物和药物组成。该软膏可作为一种缓释口腔软膏，适用于口腔粘膜，特别是牙周袋；具有缓释特性，可在将药物浓度保持在足够高的水平的同时，长期向患部提供药物；并可提高药物利用率（释放到患部的药物总量与软膏中药物总量之比）。
• Compounds and Methods for modulating the Silencing of a Polynucleotide of Interest
  申请人：Peng Jin

  公开号：US20090306035A1

  公开（公告）日：2009-12-10

  Methods and compositions comprising chemical compounds that modulate the silencing of a polynucleotide of interest in a cell are provided. Such chemical compounds when used in combination with an appropriate silencing element can be used to modulate (increase or decrease) the level of the polynucleotide targeted by the silencing element. Methods of using such compositions both in therapies involving RNAi-mediated suppression of gene expression, as well as, in vitro methods that allow for the targeted modulation of expression of a polynucleotide of interest are provided. Pharmaceutical or cosmetic formulations comprising such compounds and silencing elements also are disclosed. Methods for screening a compound of interest for the ability to modulate the activity of a heterologous silencing element also are provided.
• US4990508A
  申请人：——

  公开号：US4990508A

  公开（公告）日：1991-02-05
• US5858408A
  申请人：——

  公开号：US5858408A

  公开（公告）日：1999-01-12
• Pyridonecarboxylic Acids as Antibacterial Agents. VIII. Synthesis and Structure-Activity Relationship of 7-(1-Aminocyclopropyl)-4-oxo-1,8-naphthyridine-3-carboxylic Acids and 7-(1-Aminocyclopropyl)-4-oxoquinoline-3 carboxylic Acids.
  作者：Yozo TODO、Jun NITTA、Mikako MIYAJIMA、Yoshikazu FUKUOKA、Yoshiko YAMASHIRO、Nagako NISHIDA、Isamu SAIKAWA、Hirokazu NARITA

  DOI：10.1248/cpb.42.2063

  日期：——

  4-Oxo-1, 8-naphthyridine- and 4-oxoquinoline-3-carboxylic acids (2a, b and 3a-l) possessing a 1-amino-cyclopropyl group at the 7-position have been synthesized and evaluated for in vitro antibacterial activities. The three quinolones (3d, h, i) exhibited potent antibacterial activities against both gram-positive and gram-negative bacteria, which are comparable to those of ciprofloxacin (CPFX) and ofloxacin (OFLX). Among the three compounds, the best pharmacological and pharmacokinetic profile was obtained with 3i, an OFLX analogue, which was considerably less toxic than three reference quinolones (1, CPFX, and OFLX).

  在7位含有1-氨基环丙基的4-氧代-1,8-萘啶酸和4-氧代喹啉-3-羧酸（2a、b和3a-l）已经合成并进行了体外抗菌活性评估。三种喹诺酮（3d、h、i）对革兰阳性和革兰阴性菌表现出强效的抗菌活性，与环丙沙星（CPFX）和氧氟沙星（OFLX）相媲美。在这三种化合物中，3i（一种OFLX类似物）获得了最佳的药理学和药代动力学特征，其毒性远低于三种参考喹诺酮（1、CPFX和OFLX）。