5-氰基-6-氯烟酸 | 1206969-20-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 5-氰基-6-氯烟酸
• 英文名称: 6-Chloro-5-cyanonicotinic Acid
• 英文别名: 6-chloro-5-cyanopyridine-3-carboxylic acid
• CAS: 1206969-20-1
• 化学式: C₇H₃ClN₂O₂
• 分子量: 182.56
• InChiKey: CLVFAWOSLIAOQG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  74
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-氰基-6-氯烟酸 在 盐酸 、 间氯过氧苯甲酸 、 O-(benzotriazol-1-yl)-N,N,N,N-tetramethyluroniumhexafluorophosphate 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 52.17h， 生成 4-((S)-2-((S)-2-(3-(5-cyano-6-(methylsulfonyl)nicotinamido)propanamido)propanamido)propanamido)benzyl ((S)-1-(((S)-1-(((3R,4S,5S)-1-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl)(methyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)(methyl)carbamate
  参考文献：
  名称：

  AURISTATIN LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF

  摘要：

  The present disclosure is directed to linker-payloads, and pharmaceutically acceptable salts, solvates, or stereoisomer thereof, comprising a structure of formula I: (I). The disclosure is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds, intermediates thereof, and compositions in the prevention or treatment of cancers and/or tumors.

  公开号：

  WO2024129628A1
• 作为产物：
  描述：

  5-溴-6-羟基烟酸 在 三氯氧磷 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 4.0h， 生成 5-氰基-6-氯烟酸
  参考文献：
  名称：

  AURISTATIN LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF

  摘要：

  The present disclosure is directed to linker-payloads, and pharmaceutically acceptable salts, solvates, or stereoisomer thereof, comprising a structure of formula I: (I). The disclosure is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds, intermediates thereof, and compositions in the prevention or treatment of cancers and/or tumors.

  公开号：

  WO2024129628A1

文献信息

• AURISTATIN LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF
  申请人：[en]MERCK SHARP & DOHME LLC

  公开号：WO2024129628A1

  公开（公告）日：2024-06-20

  The present disclosure is directed to linker-payloads, and pharmaceutically acceptable salts, solvates, or stereoisomer thereof, comprising a structure of formula I: (I). The disclosure is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds, intermediates thereof, and compositions in the prevention or treatment of cancers and/or tumors.