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Chemical structure of ISAM 140

GC50679

ISAM 140

Also known as propan-2-yl 4-(furan-2-yl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate

ISAM 140 (22b) is a potent and highly selective A2B adenosine receptor antagonist with a Ki of 3·49 nM

ChemicalCAS932191-62-3MW337.37FormulaC19H19N3O3
CAS number
932191-62-3
Molecular weight
337.37
Formula
C19H19N3O3
Solubility
DMSO|6·75|20|
InChIKey
NYHLRBMDXQBOIB-UHFFFAOYSA-N
Catalogue number
GC50679
Brand
GLPBIO
Computed properties PubChem CID 17198004 · XLogP 3.4 · TPSA 69.3 Ų · H-bond donors 1
XLogP
3.4
TPSA
69.3 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
25

SMILES CC1=C(C(N2C3=CC=CC=C3N=C2N1)C4=CC=CO4)C(=O)OC(C)C

Computed descriptors from PubChem (CID 17198004), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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