tert-butyl (R)-2-methyl-3-oxopyrrolidine-1-carboxylate | 2380854-35-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: tert-butyl (R)-2-methyl-3-oxopyrrolidine-1-carboxylate
• 英文别名: (R)-2-Methyl-3-oxo-pyrrolidine-1-carboxylic acid tert-butyl ester；tert-butyl (2R)-2-methyl-3-oxopyrrolidine-1-carboxylate
• CAS: 2380854-35-1
• 化学式: C₁₀H₁₇NO₃
• 分子量: 199.25
• InChiKey: FQBIJMMPYGOFFR-SSDOTTSWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl (R)-2-methyl-3-oxopyrrolidine-1-carboxylate 在 三乙胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， -40.0~25.0 ℃ 、101.33 kPa 条件下， 反应 48.0h， 生成 tert-butyl (2R,3R)-3-[[7-bromo-2-chloro-8-fluoro-6-(trifluoromethyl)quinazolin-4-yl]methyl-amino]-2-methyl-pyrrolidine-1-carboxylate
  参考文献：
  名称：

  [EN] COMPOSITIONS AND METHODS FOR INHIBITION OF RAS
  [FR] COMPOSITIONS ET PROCÉDÉS D'INHIBITION DE RAS

  摘要：

  Provided herein are compounds, or salts, esters, tautomers, prodrugs, zwitterionic forms, or stereoisomers thereof, as well as pharmaceutical compositions comprising the same. Also provided herein are methods of using the same in modulating (e.g., inhibiting) KRAS (e.g., KRAS having a G12C mutation) and treating diseases or disorders such as cancers in subjects in need thereof.

  公开号：

  WO2023004102A2
• 作为产物：
  描述：

  tert-butyl (2R,3R)-3-hydroxy-2-methyl-5-oxo-pyrrolidine-1-carboxylate 在 硼烷四氢呋喃络合物 、 草酰氯 、 二甲基亚砜 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 18.0h， 生成 tert-butyl (R)-2-methyl-3-oxopyrrolidine-1-carboxylate
  参考文献：
  名称：

  [EN] COMPOSITIONS AND METHODS FOR INHIBITION OF RAS
  [FR] COMPOSITIONS ET PROCÉDÉS D'INHIBITION DE RAS

  摘要：

  Provided herein are compounds, or salts, esters, tautomers, prodrugs, zwitterionic forms, or stereoisomers thereof, as well as pharmaceutical compositions comprising the same. Also provided herein are methods of using the same in modulating (e.g., inhibiting) KRAS (e.g., KRAS having a G12C mutation) and treating diseases or disorders such as cancers in subjects in need thereof.

  公开号：

  WO2023004102A2

文献信息

• [EN] COMPOSITIONS AND METHODS FOR INHIBITION OF RAS<br/>[FR] COMPOSITIONS ET PROCÉDÉS D'INHIBITION DE RAS
  申请人：[en]THERAS, INC.

  公开号：WO2023004102A2

  公开（公告）日：2023-01-26

  Provided herein are compounds, or salts, esters, tautomers, prodrugs, zwitterionic forms, or stereoisomers thereof, as well as pharmaceutical compositions comprising the same. Also provided herein are methods of using the same in modulating (e.g., inhibiting) KRAS (e.g., KRAS having a G12C mutation) and treating diseases or disorders such as cancers in subjects in need thereof.