A2A/A3 AR antagonist-1

Catalog No. :
ACRZOE529
CAS No. :
2672534-18-6
Molecular Formula :
C56H71N15O12S2
Molecular Weight :
1210.41

IUPAC Name:triethylamine hemi(2-(3,6-diamino-4-sulfo-5-sulfonatoxanthylium-9-yl)-5-((6-(4-(4-((2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)amino)-4-oxobutyl)-1H-1,2,3-triazol-1-yl)hexyl)carbamoyl)benzoate)

A2A/A3 AR antagonist-1 structure diagram
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Product Information

Product NameA2A/A3 AR antagonist-1
IUPAC Nametriethylamine hemi(2-(3,6-diamino-4-sulfo-5-sulfonatoxanthylium-9-yl)-5-((6-(4-(4-((2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)amino)-4-oxobutyl)-1H-1,2,3-triazol-1-yl)hexyl)carbamoyl)benzoate)
Molecular FormulaC56H71N15O12S2
Molecular Weight1210.41
SMILESCCN(CC)CC.CCN(CC)CC.CN1C=C2C(=N1)N=C(NC(=O)CCCC1=CN(CCCCCCNC(=O)C3=CC(C(=O)O)=C(C4=C5C=CC(N)=C(S(=O)(=O)[O-])C5=[O+]C5=C4C=CC(N)=C5S(=O)(=O)O)C=C3)N=N1)N1N=C(C3=CC=CO3)N=C21
InChI KeyVBTKHVPMWADFFY-UHFFFAOYSA-N
CAS No.2672534-18-6

Synthetic Route by SureRoute

1. ACRZOE529 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACRZOE529 route product structure diagram
    ACRZOE5292672534-18-6
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2. ACRZOE529 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACRZOE529 route product structure diagram
    ACRZOE5292672534-18-6
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