Ibrutinib deacryloylpiperidine
Ibrutinib deacryloylpiperidine (CAS No.: 330786-24-8) is a synthetic derivative and process-related impurity of the Bruton's tyrosine kinase (BTK) inhibitor ibrutinib, commonly identified as a degradation product or intermediate-related analog arising during chemical synthesis and stability studies. As a compound structurally and functionally associated with covalent BTK inhibition, it is relevant to investigations of B cell receptor signaling pathways, where BTK plays a central role in mediating downstream proliferation and survival signals in B lymphocytes. This molecule has been reported to exhibit potent inhibitory activity against BTK in biochemical assays, with activity observed in the sub-nanomolar to low nanomolar range, consistent with the pharmacological profile of ibrutinib-related scaffolds. In research settings, ibrutinib deacryloylpiperidine is primarily utilized as a reference standard in impurity profiling, analytical method development, and quality control workflows, as well as in studies aimed at identifying drug metabolites in biological matrices. Additionally, it can serve as a synthetic intermediate or starting material for the preparation of modified BTK inhibitor derivatives, including those generated through reactions such as the Mitsunobu transformation, thereby supporting medicinal chemistry optimization efforts. Experimental applications typically involve in vitro enzymatic assays, cell-based signaling studies, or analytical characterization protocols, with concentrations selected according to the specific design and objectives of each study.
| Physical Appearance | Solid |
| Storage | 4°C, protect from light |
| M.Wt | 303.32 |
| Cas No. | 330786-24-8 |
| Formula | C17H13N5O |
| Synonyms | IBT4A |
| Solubility | ≥26.9 mg/mL in DMSO; insoluble in EtOH; insoluble in H2O |
| Chemical Name | 3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Canonical SMILES | NC1=C2C(NN=C2C3=CC=C(OC4=CC=CC=C4)C=C3)=NC=N1 |
| Shipping Condition | Small Molecules with Blue Ice, Modified Nucleotides with Dry Ice. |
| General tips | We do not recommend long-term storage for the solution, please use it up soon. |
Quality Control & MSDS
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Chemical structure








