(R)-3-(3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-3-oxopropyl acrylate, 98%

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

(R)-3-(3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-3-oxopropyl acrylate, 98% (CAS 2244619-11-0) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

• 2D
• 3D

[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 formula	C28H28N6O4
Molecular weight	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
SMILES	C=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