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Chemical structure of Sipagladenant

GC69893

Sipagladenant

Also known as N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide

Sipagladenant (Compound I) is an orally active adenosine receptor A2A inverse agonist that can be used for the study of frontal lobe dysfunction

ChemicalCAS858979-50-7MW397.45FormulaC20H19N3O4S
CAS number
858979-50-7
Molecular weight
397.45
Formula
C20H19N3O4S
Solubility
DMSO ： 50 mg/mL (125·80 mM; ultrasonic and warming and heat to 60°C)
InChIKey
KMFLQPJJHQNKKF-UHFFFAOYSA-N
Catalogue number
GC69893
Brand
GLPBIO
Computed properties PubChem CID 23144148 · XLogP 2.5 · TPSA 123 Ų · H-bond donors 1
XLogP
2.5
TPSA
123 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
28

SMILES CC1=NC=C(C=C1)C(=O)NC2=NC(=C(S2)C(=O)C3CCOCC3)C4=CC=CO4

Computed descriptors from PubChem (CID 23144148), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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