CAS 1022899-36-0: PCI-33380
(World's Largest Pharmaceutical Supplier)
- CAS Number: 1022899-36-0
- Stock: 212g
- Assay: 99.50%
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 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.
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
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