Introduction：Basic information about CAS 330786-24-8|Ibrutinib deacryloylpiperidine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Ibrutinib deacryloylpiperidine |
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| CAS Number | 330786-24-8 | Molecular Weight | 303.318 |
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| Density | 1.4±0.1 g/cm3 | Boiling Point | 577.4±50.0 °C at 760 mmHg |
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| Molecular Formula | C17H13N5O | Melting Point | / |
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| MSDS | / | Flash Point | 303.0±30.1 °C |
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Names
| Name | 3-(4-Phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
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| Synonym | More Synonyms |
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Ibrutinib deacryloylpiperidine BiologicalActivity
| Description | Ibrutinib deacryloylpiperidine (IBT4A) is an impurity of Ibrutinib[1]. Ibrutinib is a selective, irreversible Btk inhibitor with an IC50 of 0.5 nM[2]. |
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| Related Catalog | Research Areas >>CancerSignaling Pathways >>Protein Tyrosine Kinase/RTK >>Btk |
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| References | [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. |
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Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
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| Boiling Point | 577.4±50.0 °C at 760 mmHg |
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| Molecular Formula | C17H13N5O |
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| Molecular Weight | 303.318 |
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| Flash Point | 303.0±30.1 °C |
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| Exact Mass | 303.112000 |
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| PSA | 89.71000 |
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| LogP | 3.01 |
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| Vapour Pressure | 0.0±1.6 mmHg at 25°C |
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| Index of Refraction | 1.734 |
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| InChIKey | YYVUOZULIDAKRN-UHFFFAOYSA-N |
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| SMILES | Nc1ncnc2n[nH]c(-c3ccc(Oc4ccccc4)cc3)c12 |
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| Storage condition | 2-8°C |
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Safety Information
Synonyms
| 3-(4-Phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| 1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 3-(4-phenoxyphenyl)- |
| 3-(4-Phenoxyphenyl)-1H-pyrazolo(3,4d)pyrimidin-4-amine |
| 5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyriMidin-4-ylaMine |
| Ibrutinib Impurity 8 |
