2-(3-methoxy-4-nitropyrazol-1-yl)ethanol | 1006950-52-2

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 2-(3-methoxy-4-nitropyrazol-1-yl)ethanol
• 英文别名: 2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)ethanol
• CAS: 1006950-52-2
• 化学式: C₆H₉N₃O₄
• mdl: MFCD06804927
• 分子量: 187.155
• InChiKey: GUZXGCLQOGQIPB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  93.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(3-methoxy-4-nitropyrazol-1-yl)ethanol 在 palladium on activated charcoal 、 氢气 作用下， 以 甲醇 为溶剂， 25.0 ℃ 、103.42 kPa 条件下， 生成 2-(4-amino-3-methoxy-1H-pyrazol-1-yl)ethanol
  参考文献：
  名称：

  [EN] HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE
  [FR] COMPOSÉS HÉTÉROBIFONCTIONNELS ET LEUR UTILISATION DANS LE TRAITEMENT DE MALADIES

  摘要：

  The invention provides heterobifunctional compounds comprising an effector protein binding moiety selected from mTor, PLK1, CDK1, CDK2, CDK9, BRD4, AURKA, AURKB, MEK, Src, c-KIT, KIF11, HSP90, tubulin, proteasome, topoisomerase or HD AC which is linked to a moiety that binds to a target protein selected from BTK, androgen receptor or IDH1. Pharmaceutical compositions and their use in treating disease, such as cancer, are also disclosed.

  公开号：

  WO2023059583A1
• 作为产物：
  描述：

  对甲苯磺酸羟乙酯 、 3-甲氧基-4-硝基-1H-吡唑 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以61.63 %的产率得到2-(3-methoxy-4-nitropyrazol-1-yl)ethanol
  参考文献：
  名称：

  [EN] HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE
  [FR] COMPOSÉS HÉTÉROBIFONCTIONNELS ET LEUR UTILISATION DANS LE TRAITEMENT DE MALADIES

  摘要：

  The invention provides heterobifunctional compounds comprising an effector protein binding moiety selected from mTor, PLK1, CDK1, CDK2, CDK9, BRD4, AURKA, AURKB, MEK, Src, c-KIT, KIF11, HSP90, tubulin, proteasome, topoisomerase or HD AC which is linked to a moiety that binds to a target protein selected from BTK, androgen receptor or IDH1. Pharmaceutical compositions and their use in treating disease, such as cancer, are also disclosed.

  公开号：

  WO2023059583A1

文献信息

• [EN] HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE<br/>[FR] COMPOSÉS HÉTÉROBIFONCTIONNELS ET LEUR UTILISATION DANS LE TRAITEMENT DE MALADIES
  申请人：[en]HALDA THERAPEUTICS OPCO, INC.

  公开号：WO2023059583A1

  公开（公告）日：2023-04-13

  The invention provides heterobifunctional compounds comprising an effector protein binding moiety selected from mTor, PLK1, CDK1, CDK2, CDK9, BRD4, AURKA, AURKB, MEK, Src, c-KIT, KIF11, HSP90, tubulin, proteasome, topoisomerase or HD AC which is linked to a moiety that binds to a target protein selected from BTK, androgen receptor or IDH1. Pharmaceutical compositions and their use in treating disease, such as cancer, are also disclosed.