Products 1553977-17-5

CAS 1553977-17-5 appears in our catalog under these names: Ibrutinib D5, Ibrutinib-d5, Ibrutinib d5, Ibrutinib-d5, 98.08%. Offered by: GLPBio, Chemat Brand, TargetMol, Biosynth, MedChemExpress. Available pack sizes: 5mg, on request, 1mg, 10mg, 25mg, 1 mg, 5 mg.

Ibrutinib D5
GLPBio
  • size: 5mg, 10mg
  • Variants: 2
from 4102.73
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Ibrutinib-d5
Chemat Brand, TargetMol
  • size: on request, 1mg, 5mg, 10mg
  • Variants: 4
from 2072.65
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Ibrutinib d5
Biosynth
  • size: 5mg, 1mg, 10mg, 25mg
  • Variants: 4
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Ibrutinib-d5, 98.08%
MedChemExpress
  • size: 1 mg, 5 mg
  • Variants: 2
from 1847.57
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Structural formula: {0} (CAS {1})

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 (CAS 1553977-17-5) is a chemical compound with the molecular formula C25H24N6O2 and a molecular weight of 445.5 g/mol. IUPAC name: 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. InChIKey: XYFPWWZEPKGCCK-OZUAZJOXSA-N.

Identity
Molecular formulaC25H24N6O2
Molecular weight445.5 g/mol
IUPAC name1-[(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
InChIKeyXYFPWWZEPKGCCK-OZUAZJOXSA-N
SMILES[2H]C1=C(C(=C(C(=C1[2H])[2H])OC2=CC=C(C=C2)C3=NN(C4=NC=NC(=C34)N)[C@@H]5CCCN(C5)C(=O)C=C)[2H])[2H]

Computed by PubChem (NCBI)

Synonyms: Ibrutinib D5, Ibrutinib-d5, orb1709452
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-[(3S)-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