ethyl 10-bromo-9-fluoro-3-methyl-7-oxo-2,3-dihydro-(7H)-pyrido-(1,2,3-de)-1,4-benzoxazine-6-carboxylate | 103979-11-9

• 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 10-bromo-9-fluoro-3-methyl-7-oxo-2,3-dihydro-(7H)-pyrido-(1,2,3-de)-1,4-benzoxazine-6-carboxylate
• 英文别名: Ethyl 9-fluoro-10-bromo-3-methyl-7-oxo-2,3-dihydro-(7H)-pyrido-(1,2,3-de)-1,4-benzoxazine-6-carboxylate；ethyl 6-bromo-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylate
• CAS: 103979-11-9
• 化学式: C₁₅H₁₃BrFNO₄
• 分子量: 370.175
• InChiKey: HLXVUXRVLVIMEF-UHFFFAOYSA-N

物化性质

• 沸点：
  481.2±45.0 °C(Predicted)
• 密度：
  1.65±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  ethyl 10-bromo-9-fluoro-3-methyl-7-oxo-2,3-dihydro-(7H)-pyrido-(1,2,3-de)-1,4-benzoxazine-6-carboxylate 在 甲醇 、 sodium tetrahydroborate 、 sodium methylate 、 溶剂黄146 作用下， 以 二氯甲烷 、 1,2-二氯乙烷 为溶剂， 反应 34.0h， 生成 6-bromo-7-fluoro-11-[[(2-methoxy-4-pyridyl)methyl-[(3S)-1-(6-nitro-3-pyridyl)-3-piperidyl]amino]methyl]-2-methyl-4-oxa-1-azatricyclo[7.3.1.0^5,13]trideca-5(13),6,8,11-tetraen-10-one
  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：

  在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 ethyl 10-bromo-9-fluoro-3-methyl-7-oxo-2,3-dihydro-(7H)-pyrido-(1,2,3-de)-1,4-benzoxazine-6-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

• Antibiotic derivatives of
  申请人：Pfizer Inc.

  公开号：US04623650A1

  公开（公告）日：1986-11-18

  1-Substituted-6-fluoro-7-aryl-(8-fluoro)-1,4-dihydroquinol-4-one 3-carboxylic acids having antibacterial activity are prepared by reacting the corresponding alkyl 1-substituted-6-fluoro-7-bromo-(8-fluoro)-1,4-dihydroquinol-4-one-3-carbox ylate with an arylmetallic compound and hydrolyzing the ester formed.

  具有抗菌活性的1-取代-6-氟-7-芳基-(8-氟)-1,4-二氢喹啉-4-酮3-羧酸是通过将相应的烷基1-取代-6-氟-7-溴-(8-氟)-1,4-二氢喹啉-4-酮-3-羧酸酯与芳基金属化合物反应，并水解形成的酯来制备的。
• Substituted dihydroquinolone carboxylic acids, anti-bacterial compositions containing them
  申请人：PFIZER INC.

  公开号：EP0184384A1

  公开（公告）日：1986-06-11

  1-Substituted-6-fluoro-7-aryl-(8-fluoro)-1,4-dihydro- quinol-4-one 3-carboxylic acids having antibacterial activity. They may be prepared by reacting the corresponding alkyl 1-substituted-6-fluoro-7-bromo-(8-fluoro)-1,4-dihydroquinol-4-one-3-carboxylate with an arylmetallic compound and hydrolyzing the ester formed.

  具有抗菌活性的 1-取代-6-氟-7-芳基-(8-氟)-1,4-二氢-喹啉-4-酮-3-羧酸，可通过使相应的 1-取代-6-氟-7-溴-(8-氟)-1,4-二氢-喹啉-4-酮-3-羧酸烷基酯与芳基金属化合物反应并水解所形成的酯来制备。
• US4623650A
  申请人：——

  公开号：US4623650A

  公开（公告）日：1986-11-18