BTK Inhibitor, PCI-32765 - CAS 936563-96-1
PCI-32765(Ibrutinib, CAS 936563-96-1) is a potent and highly selective Btk inhibitor with IC50 of 0.5 nM, modestly potent to Bmx, CSK, FGR, BRK, HCK, less potent to EGFR, Yes, ErbB2, JAK3, etc.
Ibrutinib binds to and inhibits BTK activity, preventing B-cell activation and B-cell-mediated signaling and inhibiting the growth of malignant B cells that overexpress BTK. Ibrutinib was approved by the US FDA on November 13, 2013 for the treatment of mantle cell lymphoma.
Catalog Number: A001154
CAS Number: 936563-96-1
PubChem Substance ID:354326201
Molecular Formula: C25H24N6O2
Molecular Weight:440.5
Purity: ≥95%
* For research use only. Not for human or veterinary use.
Synonym
Synonyms | PCI-32765 |
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Property
Molecular Formula: | C25H24N6O2 |
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Molecular Weight | 440.5 |
Target: | BTK |
Solubility | DMSO: ≥ 52 mg/mL |
Purity | ≥95% |
Storage | Stable for at least 2 years after receipt when stored at -20°C. |
MDL | MFCD20261150 |
Overview of Clinical Research | <span style="color:#000000;"><span style="font-size:12px;"><span style="font-family:arial,helvetica,sans-serif;">Ibrutinib is an a<span style="font-variant-ligatures: normal; orphans: 2; widows: 2;">gammaglobulinaemia tyrosine kinase inhibitor and an Emt protein-tyrosine kinase inhibitor. It has been granted for the orphan drug status in </span><span style="orphans: 2; widows: 2;">Chronic lymphocytic leukaemia, Mantle-cell lymphoma and Graft-versus-host disease.</span></span></span></span> <ul class="data-list__content" id="at-a-glance_orphanStatus" style="list-style: none; margin: 0px; padding-right: 0px; padding-left: 0px; color: rgb(51, 51, 51); font-family: "Helvetica Neue", Helvetica, Arial, sans-serif; font-size: 13px; font-variant-ligatures: normal; orphans: 2; widows: 2;"> <li class="data-list__property" id="at-a-glance_newMolecularEntity" style="list-style: none; zoom: 1; margin-bottom: 10px;"> </li> </ul> |
IC50 | 0.3 nM |
Computed Descriptor
IUPAC Name | 1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one |
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InChI | InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28) |
InChIKey | XYFPWWZEPKGCCK-UHFFFAOYSA-N |
SMILES | C=CC(=O)N1CCCC(C1)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N |