7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.0^5,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid | 56346-21-5

• 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: 7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.0^5,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
• 英文别名: 7-Fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid
• CAS: 56346-21-5
• 化学式: C₁₃H₁₀FNO₄
• 分子量: 263.225
• InChiKey: KVVUTFTUKHKRKQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  10-amino-9-fluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid 在 氢溴酸 、 sodium nitrite 作用下， 以 水 为溶剂， 以99.12 %的产率得到10-Bromo-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：

  [EN] STIMULATOR OF INTERFERON GENES (STING) MODULATORS, AND COMPOSITIONS AND METHODS THEREOF
  [FR] MODULATEURS DE STIMULATEUR DE GÈNES D'INTERFÉRON (STING), ET COMPOSITIONS ET MÉTHODES ASSOCIÉES

  摘要：

  The invention provides novel modulators of STING (Stimulator of Interferon Genes) and pharmaceutical compositions thereof, as well as methods of their preparation and use, in therapy of various diseases and conditions, such as cancer, infectious and autoimmune diseases or disorders.

  公开号：

  WO2023158862A2

文献信息

• Anti acid-fast bacterial agent containing pyridonecarboxylic acids as active ingredient
  申请人：——

  公开号：US20030119848A1

  公开（公告）日：2003-06-26

  1 Anti-acid-fast bacterial agents containing as the active ingredient compounds represented by the general formula (1), salts thereof or hydrates of the same. Namely, pyridonecarboxylic acid derivatives having an excellent antibacterial activity on tubercle bacillus and a typical acid-fast bacteria, favorable kinetics in vivo and a high safety.

  抗酸快细菌药剂包含以一般式（1）表示的化合物作为活性成分，其盐或水合物。即，对结核杆菌和典型酸快细菌具有出色抗菌活性、在体内具有良好的动力学特性和高安全性的吡啶酮羧酸衍生物。
• PYRIDOBENZOXAZINE DERIVATIVE
  申请人：DAIICHI PHARMACEUTICAL CO., LTD.

  公开号：EP1712554A1

  公开（公告）日：2006-10-18

  A quinolone antimicrobial agent having potent antimicrobial activity against gram positive and gram negative bacteria and having high safety is provided. A compound represented by the following formula (1): [wherein, R1: hydrogen, alkyl, cycloalkyl, or substituted carbonyl derived from amino acid, peptide or tripeptide; R2: hydrogen, alkyl, or cycloalkyl; R3: hydrogen, amino, halogen, or alkyl; R4: hydrogen, phenyl, acetoxymethyl, pivaloyloxymethyl, ethoxycarbonyl, choline, dimethylaminoethyl, 5-indanyl, phthalidinyl, 5-alkyl-2-oxo-1,3-dioxol-4-ylmethyl, 3-acetoxy-2-oxobutyl, alkyl, alkoxymethyl, or phenylalkyl; X, X1, X2: hydrogen or halogen] or salt thereof, or a hydrate thereof; and antimicrobial agent and therapeutic agent for infections, each containing the compound, salt thereof or a hydrate thereof.

  提供了一种对革兰氏阳性和阴性细菌具有强效抗菌活性且具有高安全性的喹诺酮类抗菌剂。化合物由以下公式（1）表示：[其中，R1：氢，烷基，环烷基或由氨基酸，肽或三肽衍生的取代羰基；R2：氢，烷基或环烷基；R3：氢，氨基，卤素或烷基；R4：氢，苯基，乙酰氧甲基，季戊酰氧甲基，乙氧羰基，胆碱，二甲氨基乙基，5-茚烷基，邻酞酰亚胺基，5-烷基-2-氧代-1,3-二氧杂环戊-4-基甲基，3-乙酰氧基-2-氧代丁基，烷基，烷氧甲基或苯基烷基；X，X1，X2：氢或卤素]或其盐或其水合物；以及包含该化合物、其盐或其水合物的抗菌剂和治疗剂。
• Substituted-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic acids; substituted-5-amino-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acids; substituted-5-amino-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acids; derivatives thereof; pharmaceutical compositions comprising the compounds; and processes for producing the compounds
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP0172651A1

  公开（公告）日：1986-02-26

  Novel naphthyridine-, quinoline- and benzoxazine carboxylic acids of formula or as antibacterial agents are described as well as methods for their manufacture and formulation. Also disclosed are certain novel intermediates used in the manufacture of the antibacterial agents.

  描述了新颖的式或作为抗菌剂的萘啶、喹啉和苯并噁嗪羧酸及其制造和配制方法。 此外，还公开了用于制造抗菌剂的某些新型中间体。
• Benzoxazine derivatives
  申请人：DAIICHI SEIYAKU CO., LTD.

  公开号：EP0047005B1

  公开（公告）日：1984-11-14
• PROCESS FOR PREPARING (-)PYRIDOBENZOXAZINE CARBOXYLIC ACID DERIVATIVES
  申请人：SAMSUNG ELECTRONICS CO., LTD.

  公开号：EP1073662A1

  公开（公告）日：2001-02-07