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Product Information
Name:
Dihydrodiol Ibrutinib
Controlled Product
Synonyms:
- 1-[3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2,3-dihydroxypropan-1-one
- 1-[(3R)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-2,3-dihydroxy-1-propanone
- PCI 45227
CAS:
Description:
Applications Dihydrodiol Ibrutinib is a metabolite of Ibrutinib (I124970). Ibrutinib is a highly selective Bruton’s tyrosine kinase (Btk) irreversible inhibitor.
References MacGlashan, D., et. al.: Int. Immunol., 11, 475 (2011)
Brand:
TRC
Long term storage:
Notes:
Chemical properties
Molecular weight:
474.51
Formula:
C25H26N6O4
Color/Form:
White to Off-White Solid
InChI:
InChI=1S/C25H26N6O4/c26-23-21-22(16-8-10-19(11-9-16)35-18-6-2-1-3-7-18)29-31(24(21)28-15-27-23)17-5-4-12-30(13-17)25(34)20(33)14-32/h1-3,6-11,15,17,20,32-33H,4-5,12-14H2,(H2,26,27,28)/t17-,20?/m1/s1
InChI key:
InChIKey=NWKPMPRXJGMTKQ-DIAVIDTQSA-N
SMILES:
Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCCN(C(=O)C(O)CO)C1
MDL:
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HS code:
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