1022150-12-4
1022150-12-4
Chemical Structure
IBT6A
- CAS No.: 1022150-12-4
- Formula:C22H22N6O
- Molecular Weight:386.45
IUPAC Name: (R)-3-(4-phenoxyphenyl)-1-(piperidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
InChIKey: GPSQYTDPBDNDGI-MRXNPFEDSA-N
SMILES: NC1=C2C(N([C@H]3CNCCC3)N=C2C4=CC=C(OC5=CC=CC=C5)C=C4)=NC=N1
Biological Activity: IBT6A is an impurity of Ibrutinib. IBT6A can be used in synthesis of IBT6A Ibrutinib dimer and IBT6A adduct[1]. Ibrutinib is a selective, irreversible Btk inhibitor with an IC50 of 0.5 nM[2].
| Cat. No. | Product Name | Purity | Description | Pricing | |||||||||||||||||||
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IBT6A | 99.59% | IBT6A is an impurity of Ibrutinib. IBT6A can be used in synthesis of IBT6A Ibrutinib dimer and IBT6A adduct. Ibrutinib is a selective, irreversible Btk inhibitor with an IC50 of 0.5 nM. | ||||||||||||||||||||
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Structural Analogs
-
Similarity Score 1.00
HY-13036(Rac)-IBT6A -
Similarity Score 0.99
HY-13036BIBT6A hydrochloride -
Similarity Score 0.99
HY-13036C(Rac)-IBT6A hydrochloride -
Similarity Score 0.85
HY-18010PCI 29732 -
Similarity Score 0.85
HY-150885BTK ligand 1 -
Similarity Score 0.84
HY-130983N-piperidine Ibrutinib hydrochloride -
Similarity Score 0.82
HY-15809(Rac)-Ibrutinib alkyne -
Similarity Score 0.82
HY-163963IBT6A-CO-ethyne -
Similarity Score 0.82
HY-10997Ibrutinib -
Explore the MedChemAI to find more analogs
References
- [1]. Somana Siva Prasad, et al. A QUALITY BY DESIGN APPROACH FOR DEVELOPMENT OF SIMPLE AND ROBUST REVERSED PHASE STABILITY INDICATING HPLC METHOD FOR ESTIMATION OF IBRUTINIB AND ITS IMPURITIES.
- [2]. Honigberg LA, et al. The Bruton tyrosine kinase inhibitor PCI-32765 blocks B-cell activation and is efficacious in models of autoimmune disease and B-cell malignancy. Proc Natl Acad Sci U S A. 2010 Jul 20;107(29):13075-80. [Content Brief]
