pci-33380

InvivoChem Cat #:V4778CAS #:1022899-36-0Purity >=98%

Description: PCI-33380 is a novel and irreversible Bruton's Tyrosine Kinase (BTK) inhibitor that was designed based on the ibrutinib scaffold in combination with a fluorescent probe, and has been used in both cellular and in vivo studies that demonstrated the connection between the inhibitor binding event and phenotypic readouts of cellular responses due to the inhibition of Btk functions. The use of fluorescent probes in clinical trials has played an important role in determining the appropriate dosage of drugs for patients.

References: Sci Rep. 2015 Nov 4; 5:16136.

-20C for 3 years in powder form

Synonym: PCI-33380; PCI 33380; PCI33380; BMS 790052; BMS-790052; BMS790052; EBP 883; EBP-883; EBP883;
IUPAC/Chemical Name: (E)-N-(2-(4-(4-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3, 4-d]pyrimidin-1-yl)piperidin-1-yl)-4-oxobut-2-en-1-yl)piperazin-1-yl)ethyl)-3-(5, 5-difluoro-7, 9-dimethyl-5H-5l4, 6l4-dipyrrolo[1, 2-c:2', 1'-f][1, 3, 2]diazaborinin-3-yl)propanamide
InChi Key: YUGFMNZIROEBNV-YRNVUSSQSA-N
InChi Code: InChI=1S/C46H52BF2N11O3/c1-32-28-33(2)58-40(32)29-36-15-14-35(59(36)47(58, 48)49)16-19-41(61)51-20-23-56-26-24-55(25-27-56)21-7-11-42(62)57-22-6-8-37(30-57)60-46-43(45(50)52-31-53-46)44(54-60)34-12-17-39(18-13-34)63-38-9-4-3-5-10-38/h3-5, 7, 9-15, 17-18, 28-29, 31, 37H, 6, 8, 16, 19-27, 30H2, 1-2H3, (H, 51, 61)(H2, 50, 52, 53)/b11-7+
SMILES Code: O=C(NCCN1CCN(C/C=C/C(N2CC(N3N=C(C4=CC=C(OC5=CC=CC=C5)C=C4)C6=C(N)N=CN=C63)CCC2)=O)CC1)CCC7=CC=C8N7B(F)(F)[N]9=C(C)C=C(C)C9=C8