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ChemicalBook--->CAS DataBase List--->936563-87-0

936563-87-0

936563-87-0 Structure

936563-87-0 Structure
IdentificationBack Directory
[Name]

PCI-32765 (RaceMate)
[CAS]

936563-87-0
[Synonyms]

Ibrutinib Racemate
PCI-32765 (RaceMate)
IBRUTINIB RACEMATE (PCI-32765 RACEMATE)
Bruton's Tyrosine Kinase Inhibitor III - CAS 936563-87-0 - Calbiochem
1-[3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
1-(3-(4-Amino-3-(4-phenyloxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one
2-Propen-1-one, 1-[3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-
[Molecular Formula]

C25H24N6O2
[MDL Number]

MFCD12032093
[MOL File]

936563-87-0.mol
[Molecular Weight]

440.5
Chemical PropertiesBack Directory
[Boiling point ]

715.0±60.0 °C(Predicted)
[density ]

1.34±0.1 g/cm3(Predicted)
[storage temp. ]

-20C
[solubility ]

Soluble in DMSO
[form ]

White crystalline solid
[pka]

4.09±0.30(Predicted)
[color ]

White to off-white
Hazard InformationBack Directory
[Definition]

ChEBI: 1-[3-[4-amino-3-(4-phenoxyphenyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinyl]-2-propen-1-one is an aromatic ether.
[Biological Activity]

pci-32765 is an inhibitor of bruton tyrosine kinase (btk) with ic50 value of 0.5nm [1].pci-32765 is a covalent and irreversible inhibitor of btk through bonding to cys-481 in the atp binding domain. pci-32765 inhibits phosphorylation of btk in a b cells (ic50 of 11nm) as well as the downstream substrates phosphoinositide phospholipase cγ (plc γ) and erk in cell assays. pci-32765 has in vivo efficacy in b cell lymphoma. in cll cells, pci-32765 induces cells apoptosis through inhibiting the expression of bcr-dependent udp-glucose ceramide glucosyltransferase [1].pci-32765 is oral effective in vivo. it induces lymphocytosis during the first weeks of therapy in patients with cll. it is also efficacious in autoimmune disease. in the mrl-fas lupus model, pci-32765 inhibits collagen-induced arthritis as well as autoantibody production and development of kidney disease. it also diminished fcγriii-induced production of pro-inflammatory cytokines [1].
[References]

[1] burger ja, buggy jj. bruton tyrosine kinase inhibitor ibrutinib (pci-32765). leuk lymphoma. 2013 nov;54(11):2385-91.
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