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KF21213

CAT: 0013-GTR19204298-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204298-02Size:50 mg
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Description
KF21213 is a potent and highly selective adenosine A2A receptor antagonist with a Ki of 3.0 nM. It is a valuable research tool for mapping and studying CNS A2A receptors in both in vitro binding assays and in vivo neuroimaging and behavioral research.
CAS Number
155271-17-3
Field of Research
Epigenetics & Chromatin, Neuroscience, Pharmacology & Drug Discovery
Smiles
CN1C2=C (N=C1/C=C/C3=C (C) C (C) =C (OC) C=C3) N (C) C (=O) N (C) C2=O
Molecular Formula
C19H22N4O3
Molecular Weight
354.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

KF 21213

a CNS adenosine A(2A) receptor ligand; structure in first source

CAS Number155271-17-3
PubChem CID6448866
IUPAC Name8-[(E)-2-(4-methoxy-2,3-dimethylphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione
Molecular FormulaC19H22N4O3
Molecular Weight354.4
XLogP2.6
Topological Polar Surface Area67.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity595
SMILES
CC1=C(C=CC(=C1C)OC)/C=C/C2=NC3=C(N2C)C(=O)N(C(=O)N3C)C
InChI
InChI=1S/C19H22N4O3/c1-11-12(2)14(26-6)9-7-13(11)8-10-15-20-17-16(21(15)3)18(24)23(5)19(25)22(17)4/h7-10H,1-6H3/b10-8+
InChIKey
SDHWMROLJYZHCX-CSKARUKUSA-N
Chemical Structure
2D Structure
2D structure of KF 21213
CAS: 155271-17-3
CID: 6448866
Formula: C19H22N4O3
MW: 354.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.4
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass354.16919058
Monoisotopic Mass354.16919058
Topological Polar Surface Area67.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity595
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
FGA27117-01KF21213

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