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Ibrutinib deacryloylpiperidine

Catalog No.
C6657
Impurity in the synthesis of Ibrutinib, used for impurity analysis and drug metabolism studies.
Grouped product items
SizePriceStock Qty
Evaluation Sample
$30.00
In stock
1g
$50.00
In stock
5g
$155.00
Ship with 5-10 days
For scientific research use only and should not be used for diagnostic or medical purposes.

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Background

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.

Chemical Properties

Physical AppearanceSolid
Storage 4°C, protect from light
M.Wt303.32
Cas No.330786-24-8
FormulaC17H13N5O
SynonymsIBT4A
Solubility≥26.9 mg/mL in DMSO; insoluble in EtOH; insoluble in H2O
Chemical Name3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Canonical SMILESNC1=C2C(NN=C2C3=CC=C(OC4=CC=CC=C4)C=C3)=NC=N1
Shipping ConditionSmall 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

Chemical structure

Ibrutinib deacryloylpiperidine
 

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