methyl 5-nitro-6-(o-tolylamino)nicotinate

• 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
• 英文名称: methyl 5-nitro-6-(o-tolylamino)nicotinate
• 英文别名: Methyl 6-(2-methylanilino)-5-nitropyridine-3-carboxylate
• 化学式: C₁₄H₁₃N₃O₄
• 分子量: 287.275
• InChiKey: VCJQABNWPWZOOG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  97
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  methyl 5-nitro-6-(o-tolylamino)nicotinate 在 铁粉 、 氯化铵 作用下， 以 乙醇 、 水 为溶剂， 以82 %的产率得到methyl 5-amino-6-(o-tolylamino)nicotinate
  参考文献：
  名称：

  [EN] BIFUNCTIONAL PI3K-ALPHA INHIBITORS AND USES THEREOF
  [FR] INHIBITEURS BIFONCTIONNELS DE PI3K-ALPHA ET LEURS UTILISATIONS

  摘要：

  The present disclosure relates to novel bifunctional compounds and pharmaceutical compositions thereof, and methods for degrading PI3K-alpha and/or inhibiting the activity of PI3K-alpha enzymes with the compounds and compositions of the disclosure. The present disclosure further relates to, but is not limited to, methods for treating disorders associated with PI3K-alpha signaling with the compounds and compositions of the disclosure.

  公开号：

  WO2023081759A1
• 作为产物：
  描述：

  6-氯-5-硝基烟酸甲酯 、 邻甲苯胺 在 palladium diacetate 、 caesium carbonate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 作用下， 以 甲苯 为溶剂， 以80 %的产率得到methyl 5-nitro-6-(o-tolylamino)nicotinate
  参考文献：
  名称：

  [EN] BIFUNCTIONAL PI3K-ALPHA INHIBITORS AND USES THEREOF
  [FR] INHIBITEURS BIFONCTIONNELS DE PI3K-ALPHA ET LEURS UTILISATIONS

  摘要：

  The present disclosure relates to novel bifunctional compounds and pharmaceutical compositions thereof, and methods for degrading PI3K-alpha and/or inhibiting the activity of PI3K-alpha enzymes with the compounds and compositions of the disclosure. The present disclosure further relates to, but is not limited to, methods for treating disorders associated with PI3K-alpha signaling with the compounds and compositions of the disclosure.

  公开号：

  WO2023081759A1

文献信息

• [EN] BIFUNCTIONAL PI3K-ALPHA INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS BIFONCTIONNELS DE PI3K-ALPHA ET LEURS UTILISATIONS
  申请人：[en]RELAY THERAPEUTICS, INC.

  公开号：WO2023081759A1

  公开（公告）日：2023-05-11

  The present disclosure relates to novel bifunctional compounds and pharmaceutical compositions thereof, and methods for degrading PI3K-alpha and/or inhibiting the activity of PI3K-alpha enzymes with the compounds and compositions of the disclosure. The present disclosure further relates to, but is not limited to, methods for treating disorders associated with PI3K-alpha signaling with the compounds and compositions of the disclosure.