Ibrutinib
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- Product name: Ibrutinib
- CAS: 936563-96-1
- MF: C25H24N6O2
- MW: 440.5
- EINECS:805-642-2
- MDL Number:MFCD20261150
- Synonyms:According to Lu imatinib;2-Propen-1-one, 1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-;PCI-32765 (Ibrutinib);IBRUTINIB;1-[(3R)-3-[4-AMino-3-(4-phenoxyphenyl)pyrazolo[3, 4-d]pyriMidin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-{3-[4-Amino-3-(4-phenoxy-phenyl)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidin-1-yl}-but-3-en-1-one;1-[(3R)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-2-propen-1-one Ibrutinib (PCI32765);PCI-32765 1-[(3R)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-2-propen-1-one
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Properties
Melting point :153-158°C
Boiling point :715.0±60.0 °C(Predicted)
Density :1.34
storage temp. :-20°C
solubility :Soluble in DMSO ( up to at least 25 mg/ml)
form :solid
pka :4.09±0.30(Predicted)
color :White or off-white
Stability :Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 3 months.
InChIKey :XYFPWWZEPKGCCK-GOSISDBHSA-N
SMILES :C(N1CCC[C@@H](N2C3C(C(C4=CC=C(OC5=CC=CC=C5)C=C4)=N2)=C(N)N=CN=3)C1)(=O)C=C
CAS DataBase Reference :936563-96-1
Boiling point :715.0±60.0 °C(Predicted)
Density :1.34
storage temp. :-20°C
solubility :Soluble in DMSO ( up to at least 25 mg/ml)
form :solid
pka :4.09±0.30(Predicted)
color :White or off-white
Stability :Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 3 months.
InChIKey :XYFPWWZEPKGCCK-GOSISDBHSA-N
SMILES :C(N1CCC[C@@H](N2C3C(C(C4=CC=C(OC5=CC=CC=C5)C=C4)=N2)=C(N)N=CN=3)C1)(=O)C=C
CAS DataBase Reference :936563-96-1
Safety Information
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Description
Bruton’s tyrosine kinase (BTK) is a member of the BTK/Tec family of protein tyrosine kinases involved in signal transduction pathways regulating proliferation, survival, migration, and tissue homing of B-cells. Ibrutinib is an irreversible inhibitor of BTK (IC50 = 0.5 nM) that selectively blocks B cell activation, promoting apoptosis and preventing homing to the protective tumor microenvironment, at concentrations that do not affect T cell receptor signaling (1,000-fold more potent). It has been reported to inhibit autophosphorylation of BTK (IC50 = 11 nM), phosphorylation of PLCγ (IC50 = 29 nM), a substrate of BTK, and phosphorylation of ERK (IC50 = 13 nM), a further downstream kinase. Its use has been examined clinically for the treatment of diseases associated with B cell antigen receptor signaling, including mantle cell lymphoma, chronic lymphocytic leukemia, and non-Hodgkin lymphoma.More related product prices
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