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Chemical structure of Vipadenant

GC19376

Vipadenant

Also known as 3-[(4-amino-3-methylphenyl)methyl]-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-5-amine

Vipadenant is an adenosine receptor antagonist, with Kis of 1·3 nM and 68 nM for A2A and A1, respectively

ChemicalCAS442908-10-3MW321.34FormulaC16H15N7O
CAS number
442908-10-3
Molecular weight
321.34
Formula
C16H15N7O
Solubility
DMSO ： ≥ 31 mg/mL (96·47 mM)
InChIKey
HQSBCDPYXDGTCL-UHFFFAOYSA-N
Catalogue number
GC19376
Brand
GLPBIO
Computed properties PubChem CID 21874557 · XLogP 1.4 · TPSA 122 Ų · H-bond donors 2
XLogP
1.4
TPSA
122 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
24

SMILES CC1=C(C=CC(=C1)CN2C3=NC(=NC(=C3N=N2)C4=CC=CO4)N)N

Computed descriptors from PubChem (CID 21874557), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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