N-piperidine Ibrutinib (hydrochloride)
N-piperidine Ibrutinib hydrochloride (Compound 1) is a reversible Ibrutinib derivative. N-piperidine Ibrutinib hydrochloride is a potent BTK inhibitor with IC50s of 51.0 and 30.7 nM for WT BTK and C481S BTK, respectively[1]. N-piperidine Ibrutinib hydrochloride can be used as a BTK ligand in the synthesis of a series of PROTACs, such as SJF620 (HY-133137) . SJF620 is a potent PROTAC BTK degrader with a DC50 of 7.9 nM[2].
Product Specifications
CAS Number
[2231747-18-3]
UNSPSC
12352005
Hazard Statement
H302, H315, H319
Target
Btk; Ligands for Target Protein for PROTAC
Type
Reference compound
Related Pathways
PROTAC; Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/n-piperidine-ibrutinib-hydrochloride.html
Purity
98.06
Solubility
DMSO : 100 mg/mL (ultrasonic) |H2O : 50 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
NC1=C2C(N(C3CCNCC3)N=C2C4=CC=C(OC5=CC=CC=C5)C=C4)=NC=N1.[H]Cl
Molecular Formula
C22H23ClN6O
Molecular Weight
422.91
Precautions
H302, H315, H319
References & Citations
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Available Sizes
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