Ibrutinib Impurity 77

cas: 2244619-11-0 — see every product listed under this CAS number, including other names

Ibrutinib Impurity 77 (CAS 2244619-11-0) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-I182077
cas2244619-11-0
sizeon request
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Structural formula: {0} (CAS {1})

[3-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-oxopropyl] prop-2-enoate (CAS 2244619-11-0) is a chemical compound with the molecular formula C28H28N6O4 and a molecular weight of 512.6 g/mol. IUPAC name: [3-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-oxopropyl] prop-2-enoate. InChIKey: BSNUMHATNZRGNC-HXUWFJFHSA-N.

Identity
Molecular formulaC28H28N6O4
Molecular weight512.6 g/mol
IUPAC name[3-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-oxopropyl] prop-2-enoate
InChIKeyBSNUMHATNZRGNC-HXUWFJFHSA-N
SMILESC=CC(=O)OCCC(=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: N-Desacryloyl N-(3-Acryloyl-propanoyl) Ibrutinib, Ibrutinib Impurity N11
Isomers (same molecular formula)
4-(3-azidopropylcarbamoyl)-2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate C28H28N6O4
4-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]pent-4-enoic acid C28H28N6O4
N-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexyl]-2-(2-phenyl-1H-indol-3-yl)acetamide C28H28N6O4

Also listed as

Ibrutinib Impurity 24 Hubei YoungXin CAS 2244619-11-0
(R)-3-(3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-3-oxopropyl acrylate, 98% Chemat Brand CAS 2244619-11-0