2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine-6-carboxylic acid | 1781241-35-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并嘧啶类
• 英文名称: 2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine-6-carboxylic acid
• 英文别名: 2,4-dichloro-5H-pyrrolo[3,2-a]pyrimidine-6-carboxylic acid
• CAS: 1781241-35-7
• 化学式: C₇H₃Cl₂N₃O₂
• 分子量: 232.026
• InChiKey: KDGOTZJTOUBOKU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  78.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine-6-carboxylic acid 在 氯化亚砜 、 palladium diacetate 、 potassium carbonate 、 N,N-二异丙基乙胺 、 三氟乙酸 、 正丁基二(1-金刚烷基)膦 、 三氯氧磷 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 N,N-二甲基乙酰胺 、 N,N-二甲基甲酰胺 为溶剂， 反应 22.42h， 生成 (6S)-4-(2-chloro-9-(5-cyclopropyl-6-methyl-1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-4-yl) pyrazino[1',2':1,5]pyrrolo[3,2-d]pyrimidin-4-yl)-6-methyl-1,4-oxazepan-6-ol
  参考文献：
  名称：

  SMALL MOLECULE INHIBITORS OF KRAS PROTEINS

  摘要：

  Compounds of Formula (I) or their pharmaceutically acceptable salts can inhibit the G12C, G12D, G12V, and/or G13D mutants of Kirsten rat sarcoma (KRAS) protein and are expected to have utility as therapeutic agents, for example, for treating cancer. The disclosure also provides pharmaceutical compositions which comprise compounds of Formula (I) or pharmaceutically acceptable salts thereof. The disclosure also relates to methods for use of the compounds or their pharmaceutically acceptable salts in the therapy and prophylaxis of cancer and for preparing pharmaceuticals for this purpose.

  公开号：

  WO2024103010A1

文献信息

• [EN] BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS HÉTÉROARYLE BICYCLIQUES ET LEURS UTILISATIONS
  申请人：REVOLUTION MEDICINES INC

  公开号：WO2020180768A1

  公开（公告）日：2020-09-10

  The present disclosure is directed to modulators of SOS1 and their use in the treatment of disease. Also disclosed are pharmaceutical compositions comprising the same.

  本公开涉及SOS1的调节剂及其在治疗疾病中的应用。还公开了包含相同成分的药物组合物。
• SMALL MOLECULE INHIBITORS OF KRAS PROTEINS
  申请人：[en]MERCK SHARP & DOHME LLC

  公开号：WO2024103010A1

  公开（公告）日：2024-05-16

  Compounds of Formula (I) or their pharmaceutically acceptable salts can inhibit the G12C, G12D, G12V, and/or G13D mutants of Kirsten rat sarcoma (KRAS) protein and are expected to have utility as therapeutic agents, for example, for treating cancer. The disclosure also provides pharmaceutical compositions which comprise compounds of Formula (I) or pharmaceutically acceptable salts thereof. The disclosure also relates to methods for use of the compounds or their pharmaceutically acceptable salts in the therapy and prophylaxis of cancer and for preparing pharmaceuticals for this purpose.