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Chemical structure of AK-IN-1

GC75373

AK-IN-1

Also known as 2-[[5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]ethanol

AK-IN-1 (compound 4072-2732) is an adenosine kinase (AK) inhibitor that is competitive for adenosine (Ado) but not for ATP

ChemicalCAS378775-98-5MW391.42FormulaC22H21N3O4
CAS number
378775-98-5
Molecular weight
391.42
Formula
C22H21N3O4
Solubility
DMSO： 100 mg/mL (255·48 mM; Need ultrasonic)
InChIKey
ARBUGBBNEFAECO-UHFFFAOYSA-N
Catalogue number
GC75373
Brand
GLPBIO
Computed properties PubChem CID 2059510 · XLogP 3.8 · TPSA 89.6 Ų · H-bond donors 2
XLogP
3.8
TPSA
89.6 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
29

SMILES COC1=CC=C(C=C1)C2=C(OC3=NC=NC(=C23)NCCO)C4=CC=C(C=C4)OC

Computed descriptors from PubChem (CID 2059510), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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