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PCI-33380

Catalog No.: 18943
Cas No.: 1022899-36-0
Purity : >98%
18943 - PCI-33380 | CAS 1022899-36-0

Catalog number : 18943

CAS number : 1022899-36-0

Molecular Formula : C46H52BF2N11O3

Molecular Weight : 855.8028

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

Smile : 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+

InChiKey : YUGFMNZIROEBNV-YRNVUSSQSA-N

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SynonymsPCI-33380; PCI 33380; PCI33380; EBP 883; EBP-883; EBP883; BMS 790052; BMS-790052; BMS790052.
Molecular FormulaC46H52BF2N11O3
Molecular Weight855.8028
AppearanceOff-white solid to white solid
Purity>98%
SolubilitySoluble in DMSO
StorageDry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Shipping ConditionShipped under ambient temperature
SmileInChI=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+
InChiKeyYUGFMNZIROEBNV-YRNVUSSQSA-N
InChiInChI=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+
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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.

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