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FK 453

CAT: 0804-HY-105275A-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-105275A-01Size:1 mg
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Description
FK 453 (compound 1d) is a potent and selective adenosine A1 receptor antagonist with an IC50 value of 17.2 nM[1].
CAS Number
121524-18-3
UNSPSC
12352005
Target
Adenosine Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/fk-453.html
Purity
99.20
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(/C=C/C1=C2C=CC=CN2N=C1C3=CC=CC=C3)N4[C@@H](CCO)CCCC4
Molecular Formula
C23H25N3O2
Molecular Weight
375.46
References & Citations
[1]Atsushi Akahane, et al. Discovery of FK453, a novel non-xanthine adenosine A1 receptor antagonist. Bioorganic & Medicinal Chemistry Letters. 1996, 16, 7.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2

Chemical Information

FK-453
CAS Number121524-18-3
PubChem CID6439091
IUPAC Name(E)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)prop-2-en-1-one
Molecular FormulaC23H25N3O2
Molecular Weight375.5
XLogP3.2
Topological Polar Surface Area57.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity546
SMILES
C1CCN([C@H](C1)CCO)C(=O)/C=C/C2=C3C=CC=CN3N=C2C4=CC=CC=C4
InChI
InChI=1S/C23H25N3O2/c27-17-14-19-10-4-6-15-25(19)22(28)13-12-20-21-11-5-7-16-26(21)24-23(20)18-8-2-1-3-9-18/h1-3,5,7-9,11-13,16,19,27H,4,6,10,14-15,17H2/b13-12+/t19-/m1/s1
InChIKey
OPLOPFHUHFGKMJ-JXOMPUQVSA-N
Chemical Structure
2D Structure
2D structure of FK-453
CAS: 121524-18-3
CID: 6439091
Formula: C23H25N3O2
MW: 375.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight375.5
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass375.19467705
Monoisotopic Mass375.19467705
Topological Polar Surface Area57.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity546
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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