6-(氯甲基)-2,3-二氢-1H,5H-吡啶并[3,2,1-Ij]喹啉-5-酮 | 849021-07-4

• 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
• 中文名称: 6-(氯甲基)-2,3-二氢-1H,5H-吡啶并[3,2,1-Ij]喹啉-5-酮
• 英文名称: 6-(chloromethyl)-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one
• 英文别名: 3-(chloromethyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one
• CAS: 849021-07-4
• 化学式: C₁₃H₁₂ClNO
• mdl: MFCD04037905
• 分子量: 233.697
• InChiKey: XCPNBFVIMZKMHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.307
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one 、 6-(氯甲基)-2,3-二氢-1H,5H-吡啶并[3,2,1-Ij]喹啉-5-酮 在 cesium fluoride 作用下， 以 1,4-二氧六环 、 水 为溶剂， 生成 8-((5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-6-yl)methyl)-2H-benzo[b][1,4]oxazin-3(4H)-one
  参考文献：
  名称：

  [EN] IL4I1 INHIBITORS AND METHODS OF USE
  [FR] INHIBITEURS D'IL4I1 ET MÉTHODES D'UTILISATION

  摘要：

  Described herein are compounds of Formula I or a pharmaceutically acceptable salt thereof wherein A, E, U, X, Y, Z, R1, R2and n are as defined herein. The compounds of Formula I act as IL4I1 inhibitors and can be useful in preventing, treating or acting as a remedial agent for IL4I1 -related diseases. Also provided herein are pharmaceutical compositions comprising the compounds of the invention, or their pharmaceutically acceptable salts, and a pharmaceutically acceptable carrier and methods of treatment with the compounds of the invention.

  公开号：

  WO2023278222A1

文献信息

• [EN] IL4I1 INHIBITORS AND METHODS OF USE<br/>[FR] INHIBITEURS D'IL4I1 ET MÉTHODES D'UTILISATION
  申请人：[en]MERCK SHARP & DOHME LLC

  公开号：WO2023278222A1

  公开（公告）日：2023-01-05

  Described herein are compounds of Formula I or a pharmaceutically acceptable salt thereof wherein A, E, U, X, Y, Z, R1, R2and n are as defined herein. The compounds of Formula I act as IL4I1 inhibitors and can be useful in preventing, treating or acting as a remedial agent for IL4I1 -related diseases. Also provided herein are pharmaceutical compositions comprising the compounds of the invention, or their pharmaceutically acceptable salts, and a pharmaceutically acceptable carrier and methods of treatment with the compounds of the invention.