ethyl 8-hydroxy-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate

• 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: ethyl 8-hydroxy-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
• 化学式: C₁₃H₁₁NO₅S
• 分子量: 293.3
• InChiKey: VLLLHHPHCVSRAL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  ethyl 8-hydroxy-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate 、 二溴甲烷 在 potassium carbonate 、 potassium iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 Ethyl 6,7-methylenedioxy-4-oxo-4H-(1,3)thiazeto(3,2-a)-quinoline-3-carboxylate
  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
• 作为产物：
  描述：

  ethyl 6-(methoxymethylsulfanyl)-8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate 在 盐酸 、 水 作用下， 以 乙醇 为溶剂， 生成 ethyl 8-hydroxy-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylate
  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

• Olinecarboxylic acid derivatives
  申请人：Nippon Shinyaku Co., Ltd.

  公开号：US04659734A1

  公开（公告）日：1987-04-21

  A compound of the formula ##STR1## R.sub.1 is hydrogen, alkali metal, alkaline earth metal, lower alkyl, pivaloyloxymethyl or phthalidyl; R.sub.2, R.sub.3, R.sub.4 and R.sub.5 are the same or different and are hydrogen, halogen, lower alkoxy or ##STR2## wherein R.sub.6 and R.sub.7 are lower alkyl or R.sub.6 and R.sub.7 together with the nitrogen atom to which they are attached form a five- to seven-membered unsubstituted or substituted heterocyclic ring containing said nitrogen atom as the sole hetero atom or containing nitrogen, sulfur or oxygen as additional hetereo atoms; A is a saturated or unsaturated hydrocarbon chain of one to five carbon atoms, unsubstituted or substituted by lower alkyl; lower alkoxy; lower alkylthio; hydroxy; halogen; lower alkyl substituted by halogen, amino, loweralkoxycarbonyl, carboxy, lower-alkoxy, loweralkylthio, loweracyloxy or hydroxy; loweralkylamino; carboxy; nitro; cyano; carbonyl; imino; or by substituted or unsubstituted phenyl, phenylthio, phenylamino or phenoxy; and R.sub.2 and R.sub.3 or R.sub.3 and R.sub.4 or R.sub.4 and R.sub.5 together may be alkylenedioxy of 1 to 5 carbon atoms which form a ring with the carbon atoms to which they are attached; or a pharmaceutically acceptable salt thereof.

  该化合物的化学式为##STR1##其中R.sub.1是氢、碱金属、碱土金属、低烷基、皮醇氧甲基或邻苯二甲酰基；R.sub.2、R.sub.3、R.sub.4和R.sub.5相同或不同，是氢、卤素、低烷氧基或##STR2##其中R.sub.6和R.sub.7是低烷基，或者R.sub.6和R.sub.7与它们连接的氮原子一起形成一个含有该氮原子作为唯一杂原子的五至七元未取代或取代的杂环环；A是一个饱和或不饱和的含有一到五个碳原子的碳氢链，未取代或取代为低烷基；低烷氧基；低烷硫基；羟基；卤素；被卤素、氨基、低烷氧羰基、羧基、低烷氧基、低烷硫基、低酰氧基或羟基取代的低烷基；低烷基氨基；羧基；硝基；氰基；羰基；亚胺基；或被取代或未取代的苯基、苯硫基、苯氨基或苯氧基取代的低烷基；R.sub.2和R.sub.3或R.sub.3和R.sub.4或R.sub.4和R.sub.5一起可以是含有与它们连接的碳原子形成环的1到5个碳原子的烷二氧基；或其药用可接受盐。
• Substituted carboxylic acid derivatives
  申请人：NIPPON SHINYAKU COMPANY, LIMITED

  公开号：EP0058392A1

  公开（公告）日：1982-08-25

  Novel substituted carboxylic acid derivatives, especially quinolinecarboxylic acid derivatives, represented by the general formulas or as well as pharmaceutically acceptable acid addition salts thereof, all having antibacterial activity.

  由通式表示的新型取代羧酸衍生物，特别是喹啉羧酸衍生物 或 及其药学上可接受的酸加成盐，均具有抗菌活性。
• US4659734A
  申请人：——

  公开号：US4659734A

  公开（公告）日：1987-04-21
• [EN] STIMULATOR OF INTERFERON GENES (STING) MODULATORS, AND COMPOSITIONS AND METHODS THEREOF<br/>[FR] MODULATEURS DE STIMULATEUR DE GÈNES D'INTERFÉRON (STING), ET COMPOSITIONS ET MÉTHODES ASSOCIÉES
  申请人：[en]GEODE THERAPEUTICS INC.

  公开号：WO2023158862A2

  公开（公告）日：2023-08-24

  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.