3-(4-苯氧基苯基)-1H-吡唑并[3,4-d]嘧啶-4-胺

• 常用名: 3-(4-苯氧基苯基)-1H-吡唑并[3,4-d]嘧啶-4-胺
• 英文名: Ibrutinib deacryloylpiperidine
• CAS号: 330786-24-8
• 分子量: 303.318
• 密度: 1.4±0.1 g/cm3
• 沸点: 577.4±50.0 °C at 760 mmHg
• 分子式: C₁₇H₁₃N₅O
• 熔点: N/A
• 闪点: 303.0±30.1 °C

用途

Ibrutinib deacryloylpiperidine (IBT4A) 是 Ibrutinib 的一种杂质。Ibrutinib 是一种不可逆的选择性 Btk 抑制剂,IC50 为 0.5 nM。

名称

• 中文名: IBRUTINIB中间体(N-2)
• 英文名: 3-(4-Phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

生物活性

• 描述: Ibrutinib deacryloylpiperidine (IBT4A) 是 Ibrutinib 的一种杂质。Ibrutinib 是一种不可逆的选择性 Btk 抑制剂,IC50 为 0.5 nM。
• 相关类别:
  研究领域 >> 癌症
  信号通路 >> 蛋白酪氨酸激酶 >> BTK
• 参考文献:

  [1]. Somana Siva Prasad, et al. A QUALITY BY DESIGN APPROACH FOR DEVELOPMENT OF SIMPLE AND ROBUST REVERSED PHASE STABILITY INDICATING HPLC METHOD FOR ESTIMATION OF IBRUTINIB AND ITS IMPURITIES.

  [2]. Honigberg LA, et al. The Bruton tyrosine kinase inhibitor PCI-32765 blocks B-cell activation and is efficacious in models of autoimmune disease and B-cell malignancy. Proc Natl Acad Sci U S A. 2010 Jul 20;107(29):13075-80.

物理化学性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 577.4±50.0 °C at 760 mmHg
• 分子式: C₁₇H₁₃N₅O
• 分子量: 303.318
• 闪点: 303.0±30.1 °C
• 精确质量: 303.112000
• PSA: 89.71000
• LogP: 3.01
• InChIKey: YYVUOZULIDAKRN-UHFFFAOYSA-N
• SMILES: Nc1ncnc2n[nH]c(-c3ccc(Oc4ccccc4)cc3)c12
• 外观性状: 卡其色粉末
• 蒸汽压: 0.0±1.6 mmHg at 25°C
• 折射率: 1.734
• 储存条件: 2-8°C

安全信息

• 危害码 (欧洲): Xi

靶点实验

查看更多实验

实验名称：Inhibition of recombinant c-Abl by radioactive phosphotransfer assay in presence of 1... 来源：ChEMBL 靶标：Tyrosine-protein kinase ABL1 External Id：CHEMBL1243972

实验名称：Inhibition of recombinant PI4Kbeta by radioactive phosphotransfer assay in presence o... 来源：ChEMBL 靶标：Phosphatidylinositol 4-kinase beta External Id：CHEMBL1243971

实验名称：Inhibition of DNA-PK by radioactive phosphotransfer assay in presence of 10 uM ATP 来源：ChEMBL 靶标：DNA-dependent protein kinase catalytic subunit External Id：CHEMBL1243970

实验名称：Inhibition of recombinant mTOR by radioactive phosphotransfer assay in presence of 10... 来源：ChEMBL 靶标：Serine/threonine-protein kinase mTOR External Id：CHEMBL1243969

实验名称：Inhibition of recombinant PI3Kgamma by radioactive phosphotransfer assay in presence ... 来源：ChEMBL 靶标：Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform External Id：CHEMBL1243968

实验名称：Inhibition of recombinant PI3Kdelta by radioactive phosphotransfer assay in presence ... 来源：ChEMBL 靶标：Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform External Id：CHEMBL1243967

实验名称：Inhibition of recombinant PI3Kbeta by radioactive phosphotransfer assay in presence o... 来源：ChEMBL 靶标：Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform External Id：CHEMBL1243966

实验名称：Inhibition of recombinant PI3Kalpha by radioactive phosphotransfer assay in presence ... 来源：ChEMBL 靶标：Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform External Id：CHEMBL1243965

实验名称：Primary screen in NF54 nanoGlo assay, in single point, at 2uM, 72h 来源：ChEMBL 靶标：Plasmodium falciparum External Id：CHEMBL4888485

实验名称：Inhibition of recombinant EphB4R by radioactive phosphotransfer assay in presence of ... 来源：ChEMBL 靶标：Ephrin type-B receptor 4 External Id：CHEMBL1243978

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英文别名

• 3-(4-Phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
• 3-(4-Phenoxyphenyl)-1H-pyrazolo(3,4d)pyrimidin-4-amine
• 5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyriMidin-4-ylaMine
• Ibrutinib Impurity 8