PCI-33380, CAS 1022899-36-0

PCI-33380, CAS 1022899-36-0, Stock 212g, Assay 99.5%, White powder, Water 0.42%, Single Impurity 0.5%.

PCI-33380

PCI-33380 is a potent and irreversible Bruton's Tyrosine Kinase (BTK) inhibitor with a fluorescent probe. PCI-33380 was designed based on the ibrutinib scaffold 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. Furthermore, the use of fluorescent probes in clinical trials has played an important role in determining the appropriate dosage of drugs for patients.

Product Details:

Name: PCI-33380

CAS#: 1022899-36-0

Chemical Formula: C46H52BF2N11O3

Exact Mass: 855.4316

Molecular Weight: 855.8

Elemental Analysis: C, 64.56; H, 6.12; B, 1.26; F, 4.44; N, 18.00; O, 5.61

Specification:

Synonym: PCI-33380; PCI 33380; PCI33380;

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

Appearance: Dark-red to brown-red solid powder

Purity: >99% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Certification: