N-piperidine Ibrutinib hydrochloride, a reversible Ibrutinib derivative, is a potent inhibitor of Bruton's tyrosine kinase (BTK). The IC50 for WT BTK and C481S BTK is 51.0 nM and 30.7 nM, respectively.

 

Brand: BCM

 

Target: BTK

 

Signaling Pathways: Angiogenesis; Tyrosine Kinase/Adaptors

 

Solubility: Soluble in Water; soluble in DMSO. Insoluble in Ethanol.

 

Isomeric SMILES: C1CNCCC1N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N.Cl  

 

InChIKey: ORBFZIXZKIUECG-UHFFFAOYSA-N  

 

InChI: InChI=1S/C22H22N6O.ClH/c23-21-19-20(15-6-8-18(9-7-15)29-17-4-2-1-3-5-17)27-28(22(19)26-14-25-21)16-10-12-24-13-11-16;/h1-9,14,16,24H,10-13H2,(H2,23,25,26);1H

 

Attribute
[Chem Name]	3-(4-phenoxyphenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
[Synonym]	N-piperidine Ibrutinib hydrochloride
[CAS No.]	2231747-18-3
[MDL No.]	MFCD33029289
[Formula]	C22H23ClN6O
[Molecular]	422.92
[Form]	Powder
[Storage]	Inert atmosphere. Room Temperature

Goods Tag