Capadenoson (BAY 68-4986) is an orally bioavailable non-nucleoside partial adenosine A1 receptor agonist with antiischemic effects.

 

Brand: BCM

 

Target: Adenosine Receptor

 

In Vitro: To further elucidate the pharmacological properties of Capadenson, GTP shift assays are performed with the standard full A1-agonist CCPA and the A1-antagonist DPCPX. CCPA shows a Ki value of 4.2 nM in the binding assay on rat cortical brain membranes. In the presence of 1 mM GTP this Ki value shifts to a value of 64 nM. Therefore the GTP shift for CCPA is 15. DPCPX shows a GTP shift of 1 with virtually identical Ki values in the absence and presence of GTP. Capadenson shows a Ki value of 24 nM in the binding assay. In the presence of 1 mM GTP this Ki value shifts to a value of 116 nM resulting in a GTP shift of 5 for Capadenoson.

 

Boiling Point: 787.9±70.0 °C(Predicted)

 

pKa: 13.98±0.10(Predicted)

 

Solubility: Soluble in DMSO. Insoluble in Water; insoluble in Ethanol.

 

GHS: GHS08

Isomeric SMILES: C1=CC(=CC=C1C2=C(C(=NC(=C2C#N)SCC3=CSC(=N3)C4=CC=C(C=C4)Cl)N)C#N)OCCO  

 

InChIKey: CITWCLNVRIKQAF-UHFFFAOYSA-N  

 

InChI: InChI=1S/C25H18ClN5O2S2/c26-17-5-1-16(2-6-17)24-30-18(13-34-24)14-35-25-21(12-28)22(20(11-27)23(29)31-25)15-3-7-19(8-4-15)33-10-9-32/h1-8,13,32H,9-10,14H2,(H2,29,31) 

 

Attribute
[Chem Name]	2-amino-6-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
[Synonym]	Capadenoson; BAY 68-4986
[CAS No.]	544417-40-5
[MDL No.]	MFCD09954113
[Formula]	C25H18ClN5O2S2
[Molecular]	520.03
[Form]	Solid powder
[Storage]	Keep in dark place. Inert atmosphere, 2-8°C

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