2-(2,6-二氧代哌啶-3-基)-5-硝基异吲哚-1,3-二酮

• 常用名: 2-(2,6-二氧代哌啶-3-基)-5-硝基异吲哚-1,3-二酮
• 英文名: 2-(2,6-dioxopiperidin-3-yl)-5-nitroisoindoline-1,3-dione
• CAS号: 55003-81-1
• 分子量: 303.23
• 密度: N/A
• 沸点: N/A
• 分子式: C₁₃H₉N₃O₆
• 熔点: N/A
• 闪点: N/A

用途

CRBN配体-9(化合物4d)是CRBN配体(Ki:8.9μM)。CRBN配体-9可用于合成PROTACs[1][2]。

名称

• 中文名: 43 2-(26-二氧代哌啶-3-基)-5-硝基异吲哚-13-二酮
• 英文名: 2-(2,6-dioxopiperidin-3-yl)-5-nitroisoindole-1,3-dione

生物活性

• 描述: CRBN配体-9(化合物4d)是CRBN配体(Ki:8.9μM)。CRBN配体-9可用于合成PROTACs[1][2]。
• 相关类别:
  研究领域 >> 癌症
  信号通路 >> 蛋白裂解靶向嵌合体 >> E3 Ligase的配体
• 参考文献:

  [1]. Heim C,et al. De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives. J Med Chem. 2019 Jul 25;62(14):6615-6629.

  [2]. An S, et al. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562.

物理化学性质

• 分子式: C₁₃H₉N₃O₆
• 分子量: 303.23
• 精确质量: 303.04900
• PSA: 132.86000
• LogP: 0.73300
• InChIKey: MYPNWKPZEHVONN-UHFFFAOYSA-N
• SMILES: O=C1CCC(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C(=O)N1
• 储存条件: 2-8℃

靶点实验

查看更多实验

实验名称：Inhibition of CRBN-mediated IKFZ3 degradation in human OPM2 cells measured after 24 h... 来源：ChEMBL 靶标：Zinc finger protein Aiolos External Id：CHEMBL4366981

实验名称：Inhibition of MANT-uracil binding to wild-type Magnetospirillum gryphiswaldense CRBN ... 来源：ChEMBL 靶标：Cereblon isoform 4 External Id：CHEMBL4366978

实验名称：Inhibition of CRBN-mediated CK1alpha degradation in human OPM2 cells measured after 2... 来源：ChEMBL 靶标：Protein cereblon External Id：CHEMBL4366976

实验名称：Antiproliferative activity against human EAhy926 cells at 12 uM 来源：ChEMBL 靶标：NON-PROTEIN TARGET External Id：CHEMBL950911

实验名称：Antiproliferative activity against human EAhy926 cells at 10 uM 来源：ChEMBL 靶标：NON-PROTEIN TARGET External Id：CHEMBL950910

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英文别名

• 4-nitrothalidomide
• 2-(2,6-dioxo-3-piperidinyl)-5-nitro-1H-isoindole-1,3(2H)-dione
• 2-(2,6-dioxo-piperidin-3-yl)-5-nitro-isoindole-1,3-dione
• 1H-Isoindole-1,3(2H)-dione,2-(2,6-dioxo-3-piperidinyl)-5-nitro
• 2-(4'-Nitro-phthalimido)-glutarimid
• 1,3-dioxo-2-(2,6-dioxopiperidin-3-yl)-5-nitroisoindoline
• N-(2,6-dioxopiperidin-3-yl)-4-nitrophthalimide