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152918-18-8

152918-18-8 Structure

152918-18-8 Structure
IdentificationBack Directory
[Name]

IB-MECA
[CAS]

152918-18-8
[Synonyms]

CF-101
IB-MECA
CS-2564
RPR-113090
Selepressin
PICLIDENOSON;CF-101
Piclidenoson (IB-MECA)
IBMECA;(PICLIDENOSON; CF-101
IB-MECA SELECTIVE A3 ADENOSIN
N6-(3-IODOBENZYL)ADO-5'N-METHYLURONAMIDE
3-iodobenzyl-5'-N-methylcarboxamidoadenosine
N6-(3-iodo-benzyl)adenosine-5'-N-MethyluronaMide
n(6)-(3-iodobenzyl)-5’-n-methylcarboxamidoadenosine
1-deoxy-1-[6-[((3-iodophenyl)methyl)amino]-9h-purin-9-yl]-n-methyl-β-d-ribofuranuronamide
β-D-Ribofuranuronamide, 1-deoxy-1-[6-[[(3-iodophenyl)methyl]amino]-9H-purin-9-yl]-N-methyl-
b-D-RibofuranuronaMide, 1-deoxy-1-[6-[[(3-iodophenyl)Methyl]aMino]-9H-purin-9-yl]-N-Methyl-
1-DEOXY-1-[6-[[(3-IODOPHENYL)METHYL]AMINO]-9H-PURIN-9-YL]-N-METHYL-BETA-D-RIBOFURANURON-AMIDE
(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(3-iodobenzylamino)-9H-purin-9-yl)-N-methyltetrahydrofuran-2-carboxamide
N6-(3-Iodobenzyl)adenosine-5μ-N-methyluronamide, 1-Deoxy-1-[6-[((3-Iodophenyl)methyl)amino]-9H-purin-9-yl]-N-methyl-β-D-ribofuranuronamide
[Molecular Formula]

C18H19IN6O4
[MDL Number]

MFCD00671785
[MOL File]

152918-18-8.mol
[Molecular Weight]

510.29
Chemical PropertiesBack Directory
[density ]

1.98±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

hot ethanol: >10 mg/mL
[form ]

solid
[pka]

12.72±0.70(Predicted)
[color ]

white
[InChIKey]

HUJXGQILHAUCCV-MOROJQBDSA-N
[SMILES]

CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(NCc4cccc(I)c4)ncnc23
Safety DataBack Directory
[Safety Statements ]

22-24/25
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

IB-MECA has been used for intraocular pressure and corneal thickness measurements in rabbits.
[Definition]

ChEBI: A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by N-ethylcarboxamido and one of the hydrogens of the exocyclic amino function is substituted by a 3-iodobenzyl group.
[Biological Activity]

Potent and selective A 3 adenosine receptor agonist (K i values are 1.1, 54 and 56 nM for A 3 , A 1 and A 2A receptors respectively). Cardioprotective, reduces infarct size upon reperfusion in rats.
[Biochem/physiol Actions]

Selective A3 adenosine receptor agonist.
[storage]

Desiccate at +4°C
Spectrum DetailBack Directory
[Spectrum Detail]

IB-MECA(152918-18-8)1HNMR
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