Ibrutinib dimer

cas: 2031255-23-7 — see every product listed under this CAS number, including other names

Ibrutinib dimer (CAS 2031255-23-7) is a chemical reagent available from Chemat. Available pack sizes: 0,5g, 50mg, 10 mg, 5 mg, 50 mg, 25 mg, 100 mg. Offered by: Biosynth, MedChemExpress.

brandBiosynth
catalog numberGGD25523-0,5g
cas2031255-23-7
size0,5g
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Available pack sizes

brand size price
Biosynth 0,5g price on request
Biosynth 50mg price on request
MedChemExpress 10 mg 561.18 Pln
MedChemExpress 5 mg 398.64 Pln
MedChemExpress 50 mg 1545.71 Pln
MedChemExpress 25 mg 960.56 Pln
MedChemExpress 100 mg 2688.13 Pln

properties

categoryResearch Chemicals
sub-category 1Building Blocks
purityNo data
delivery time3-4 weeks
Structural formula: {0} (CAS {1})

1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-[[3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-1-one (CAS 2031255-23-7) is a chemical compound with the molecular formula C50H48N12O4 and a molecular weight of 881.0 g/mol. IUPAC name: 1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-[[3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-1-one. InChIKey: PPDQAMODZKHBII-LQFQNGICSA-N.

Identity
Molecular formulaC50H48N12O4
Molecular weight881.0 g/mol
IUPAC name1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-[[3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-1-one
InChIKeyPPDQAMODZKHBII-LQFQNGICSA-N
SMILESC=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)NCCC(=O)N6CCC[C@H](C6)N7C8=NC=NC(=C8C(=N7)C9=CC=C(C=C9)OC1=CC=CC=C1)N

Computed by PubChem (NCBI)

Synonyms: Ibrutinib dimer, Ibrutinib Dimer (~90%), Ibrutinib Dimer Impurity, Irotinib impurity E, Ibrutinib impurity MDAEJ, Ibrutinib Dimer Imp, Impurity API-IM11, orb1992829
Isomers (same molecular formula)
3-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-N-[3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-4-yl]propanamide C50H48N12O4
1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-[4-imino-3-(4-phenoxyphenyl)-1-[(3S)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-2-yl]propan-1-one C50H48N12O4
1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-[4-imino-3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[5,4-d]pyrimidin-5-yl]propan-1-one C50H48N12O4
1-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-[4-imino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpiperidin-4-yl)pyrazolo[5,4-d]pyrimidin-5-yl]propan-1-one C50H48N12O4

Also listed as

Ibrutinib Impurity 10 Chemat Brand CAS 2031255-23-7
Ibrutinib Impurity 17 Chemat Brand CAS 2031255-23-7
Ibrutinib Dimer (~90%) TRC CAS 2031255-23-7
Ibrutinib dimer 97% Ambeed CAS 2031255-23-7
1-((R)-3-(4-((3-((R)-3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-3-oxopropyl)amino)-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one, 97%, 97% Chemat CAS 2031255-23-7
1-((R)-3-(4-((3-((R)-3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-3-oxopropyl)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 2031255-23-7