(S)-1-(3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo(3,4-d)pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one

cas: 936563-97-2 — see every product listed under this CAS number, including other names

(S)-1-(3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo(3,4-d)pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one (CAS 936563-97-2) is a chemical reagent available from Chemat. Available pack sizes: 100mg, 10mg, 25mg, 50mg, 250mg. Offered by: Biosynth.

brandBiosynth
catalog numberBA184227-100mg
cas936563-97-2
size100mg
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properties

categoryLife Sciences
purityNo data
delivery time4-6 weeks
Structural formula: {0} (CAS {1})

1-[(3S)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one (CAS 936563-97-2) is a chemical compound with the molecular formula C25H24N6O2 and a molecular weight of 440.5 g/mol. IUPAC name: 1-[(3S)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one. InChIKey: XYFPWWZEPKGCCK-SFHVURJKSA-N.

Identity
Molecular formulaC25H24N6O2
Molecular weight440.5 g/mol
IUPAC name1-[(3S)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
InChIKeyXYFPWWZEPKGCCK-SFHVURJKSA-N
SMILESC=CC(=O)N1CCC[C@@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N

Computed by PubChem (NCBI)

Synonyms: Ibrutinib, (S)-, (S)-Ibrutinib, Ibrutinib Impurity 20, (S)-Ibrutinib-d5, Ibrutinib (S)-Isomer, XYFPWWZEPKGCCK-SFHVURJKSA-N, (S)-1-(3-(4-amino-3-(4-phenoxyphenyl)
Related forms of this compound
1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one C25H24N6O2
1-[(3R)-3-[4-amino-3-[4-(2,3,4,5,6-pentadeuteriophenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one C25H24N6O2
1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one C25H24N6O2
Isomers (same molecular formula)
2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-[(2-cyanophenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile C25H24N6O2
1-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one C25H24N6O2
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]phenyl]acetamide C25H24N6O2

Also listed as

(S)-Ibrutinib, 97% Ambeed CAS 936563-97-2
(S)-Ibrutinib Chemat Brand CAS 936563-97-2
Ibrutinib Impurity 9(S-Ibrutinib) Chemat Brand CAS 936563-97-2
(S)-Ibrutinib, >95% (HPLC) TRC CAS 936563-97-2
Ibrutinib impurity 5, 99.98% MedChemExpress CAS 936563-97-2
(S)-1-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one  (Ibrutinib Impurity）, 98% Fluorochem CAS 936563-97-2
(S)-1-(3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one, 98% Chemat CAS 936563-97-2
(S)-1-(3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one, 97% BLDpharm CAS 936563-97-2