Introduction：Basic information about CAS 1420477-60-6|Acalabrutinib, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Acalabrutinib |
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| CAS Number | 1420477-60-6 | Molecular Weight | 465.507 |
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| Density | 1.4±0.1 g/cm3 | Boiling Point | / |
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| Molecular Formula | C26H23N7O2 | Melting Point | / |
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| MSDS | / | Flash Point | / |
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Names
| Name | Acalabrutinib |
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| Synonym | More Synonyms |
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Acalabrutinib BiologicalActivity
| Description | Acalabrutinib is a novel, potent, and highly selective BTK inhibitor, with an IC50 of 3 nM and EC50 of 8 nM in in vitro assay. |
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| Related Catalog | Signaling Pathways >>Protein Tyrosine Kinase/RTK >>BtkResearch Areas >>Cancer |
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| Target | IC50: 3 nM (BTK in CD69 B cell)[2] |
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| In Vitro | Acalabrutinib inhibits tyrosine phosphorylation of downstream targets of ERK, IKB, and AKT, in the in vitro signaling assay on primary human CLL cells[2]. |
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| In Vivo | In the human CLL NSG xenograft model, acalabrutinib demonstrates on-target effects including decreased phosphorylation of PLCγ2, ERK and significant inhibition of CLL cell proliferation. Acalabrutinib significantly decreases tumor burden in the spleen of the mice. In the TCL1 adoptive transfer model, acalabrutinib treatment decreases phosphorylation of BTK, PLCγ2 and S6. Most notably, acalabrutinib results in a significant increase in survival compared to mice receiving vehicle[1]. Acalabrutinib (100 mg twice per day) assessed for thrombus formation at injured arterioles of the mice, exhibits more selective for inhibiting BTK and has virtually no inhibition of platelet activity[2]. |
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| References | [1]. Herman SE, et al. The Bruton's tyrosine kinase (BTK) inhibitor acalabrutinib demonstrates potent on-target effects and efficacy in two mouse models of chronic lymphocytic leukemia. Clin Cancer Res. 2016 Nov 30 [2]. Wu J, et al. Acalabrutinib (ACP-196): a selective second-generation BTK inhibitor. J Hematol Oncol. 2016 Mar 9;9:21 |
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Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
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| Molecular Formula | C26H23N7O2 |
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| Molecular Weight | 465.507 |
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| Exact Mass | 465.191315 |
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| PSA | 118.51000 |
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| LogP | 0.77 |
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| Index of Refraction | 1.715 |
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| InChIKey | WDENQIQQYWYTPO-IBGZPJMESA-N |
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| SMILES | CC#CC(=O)N1CCCC1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12 |
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Safety Information
Synonyms
| (S)-4-(8-amino-3-(1-but-2-ynoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl)-N-(pyridin-2-yl)benzamide |
| Benzamide, 4-[8-amino-3-[(2S)-1-(1-oxo-2-butyn-1-yl)-2-pyrrolidinyl]imidazo[1,5-a]pyrazin-1-yl]-N-2-pyridinyl- |
| 4-{8-Amino-3-[(2S)-1-(2-butynoyl)-2-pyrrolidinyl]imidazo[1,5-a]pyrazin-1-yl}-N-(2-pyridinyl)benzamide |
| ACP-196 |
| UNII:I42748ELQW |
