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Chemical structure of Sch412348

GC31246

Sch412348

Also known as 10-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine

Sch412348 is a potent competitive antagonist of the human adenosine A2A receptor (Ki=0·6 nM) and has >1000-fold selectivity over all other adenosine receptors

ChemicalCAS377727-26-9MW465.46FormulaC22H21F2N9O
CAS number
377727-26-9
Molecular weight
465.46
Formula
C22H21F2N9O
Solubility
Soluble in DMSO
InChIKey
JZAMQDDHRXHDFR-UHFFFAOYSA-N
Catalogue number
GC31246
Brand
GLPBIO
Computed properties PubChem CID 9912318 · XLogP 2.3 · TPSA 107 Ų · H-bond donors 1
XLogP
2.3
TPSA
107 Ų
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
5
Heavy atoms
34

SMILES C1CN(CCN1CCN2C3=C(C=N2)C4=NC(=NN4C(=N3)N)C5=CC=CO5)C6=C(C=C(C=C6)F)F

Computed descriptors from PubChem (CID 9912318), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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