Product Information
Name:Ibrutinib Dimer (~90%)
Synonyms:
- 1-((R)-3-(4-((3-((R)-3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-3-oxopropyl)amino)-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one
Brand:TRC
Description:Applications Ibrutinib Dimer is a dimer impurity of Ibrutinib (I124970), a highly selective Bruton’s tyrosine kinase (Btk) irreversible inhibitor.References MacGlashan, D., et. al.: Int. Immunol., 11, 475 (2011)
Notice:Our products are intended for lab use only. For any other use, please contact us.
Chemical properties
Molecular weight:880.99
Formula:C50H48N12O4
Purity:~90%
Color/Form:Neat
InChI:InChI=1S/C50H48N12O4/c1-2-41(63)59-27-9-11-35(29-59)62-50-44(46(58-62)34-19-23-40(24-20-34)66-38-15-7-4-8-16-38)48(54-32-56-50)52-26-25-42(64)60-28-10-12-36(30-60)61-49-43(47(51)53-31-55-49)45(57-61)33-17-21-39(22-18-33)65-37-13-5-3-6-14-37/h2-8,13-24,31-32,35-36H,1,9-12,25-30H2,(H2,51,53,55)(H,52,54,56)/t35-,36-/m1/s1
SMILES:C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(NCCC(=O)N4CCC[C@@H](n5nc(-c6ccc(Oc7ccccc7)cc6)c6c(N)ncnc65)C4)ncnc32)C1
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