ethyl (E)-2,6-dimethyl-4-pyrimidineacrylate | 84586-33-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: ethyl (E)-2,6-dimethyl-4-pyrimidineacrylate
• 英文别名: ethyl (E)-3-(2,6-dimethylpyrimidin-4-yl)prop-2-enoate
• CAS: 84586-33-4
• 化学式: C₁₁H₁₄N₂O₂
• 分子量: 206.244
• InChiKey: BCYJCSUCJFTHDY-AATRIKPKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.67
• 重原子数：
  15.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  52.08
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  ethyl (E)-2,6-dimethyl-4-pyrimidineacrylate 在 lithium hydroxide monohydrate 、 水 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 (E)-3-(2,6-dimethylpyrimidin-4-yl)prop-2-enoic acid
  参考文献：
  名称：

  [EN] KRAS G12C INHIBITORS
  [FR] INHIBITEURS DE KRAS G12C

  摘要：

  The present disclosure provides compounds and methods useful in the treatment and suppression of cancer, for example, useful for treating or suppressing cancers characterized by KRAS G12C. Also provided are pharmaceutical compositions containing such compounds and processes for preparing such compounds.

  公开号：

  WO2023081840A1
• 作为产物：
  描述：

  丙烯酸乙酯 、 4-iodo-2,6-dimethylpyrimidine 在 钯 三乙胺 作用下， 反应 68.0h， 以77%的产率得到ethyl (E)-2,6-dimethyl-4-pyrimidineacrylate
  参考文献：
  名称：

  Sakamoto, Takao; Arakida, Hiroko; Edo, Kiyoto, Chemical and pharmaceutical bulletin, 1982, vol. 30, # 10, p. 3647 - 3656

  摘要：

  DOI：

文献信息

• SAKAMOTO, TAKAO;ARAKIDA, HIROKO;EDO, KIYOTO;YAMANAKA, HIROSHI, HETEROCYCLES, 1981, 16, N 6, 965-968
  作者：SAKAMOTO, TAKAO、ARAKIDA, HIROKO、EDO, KIYOTO、YAMANAKA, HIROSHI

  DOI：——

  日期：——
• [EN] METHODS FOR TREATMENT OF CANCER<br/>[FR] MÉTHODES POUR TRAITER LE CANCER
  申请人：[en]FRONTIER MEDICINES CORPORATION

  公开号：WO2023150394A1

  公开（公告）日：2023-08-10

  The present disclosure provides compounds and methods useful in the treatment and suppression of cancer, for example, useful for treating or suppressing cancers characterized by KRAS G12C. Also provided are pharmaceutical compositions containing such compounds and processes for preparing such compounds.
• Sakamoto, Takao; Arakida, Hiroko; Edo, Kiyoto, Chemical and pharmaceutical bulletin, 1982, vol. 30, # 10, p. 3647 - 3656
  作者：Sakamoto, Takao、Arakida, Hiroko、Edo, Kiyoto、Yamanaka, Hiroshi

  DOI：——

  日期：——
• [EN] KRAS G12C INHIBITORS<br/>[FR] INHIBITEURS DE KRAS G12C
  申请人：[en]FRONTIER MEDICINES CORPORATION

  公开号：WO2023081840A1

  公开（公告）日：2023-05-11

  The present disclosure provides compounds and methods useful in the treatment and suppression of cancer, for example, useful for treating or suppressing cancers characterized by KRAS G12C. Also provided are pharmaceutical compositions containing such compounds and processes for preparing such compounds.