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Chemical structure of MRS 1334

GC10202

MRS 1334

Also known as 3-O-ethyl 5-O-[(4-nitrophenyl)methyl] 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate

antagonist for the human adenosine A3 receptor

ChemicalCAS192053-05-7MW522.56FormulaC31H26N2O6
CAS number
192053-05-7
Molecular weight
522.56
Formula
C31H26N2O6
Solubility
＜52·26mg/ml in DMSO
InChIKey
QFLOJAMZLQXHFS-UHFFFAOYSA-N
Catalogue number
GC10202
Brand
GLPBIO
Computed properties PubChem CID 4519822 · XLogP 5.9 · TPSA 110 Ų · H-bond donors 1
XLogP
5.9
TPSA
110 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
39

SMILES CCOC(=O)C1=C(NC(=C(C1C#CC2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C

Computed descriptors from PubChem (CID 4519822), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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