Name: AVE 0991 sodium salt
Rating: 5 (10 reviews)

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HIT ID:HIT212669387
Cas No:306288-04-0
常用名:AVE 0991 sodium salt
IUPAC:sodium (ethylcarbamoyl)[(3-{4-[(5-formyl-4-methoxy-2-phenyl-1H-imidazol-1-yl)methyl]phenyl}-5-(2-methylpropyl)thiophen-2-yl)sulfonyl]azanide
IUPAC:sodium (ethylcarbamoyl)[(3-{4-[(5-formyl-4-methoxy-2-phenyl-1H-imidazol-1-yl)methyl]phenyl}-5-(2-methylpropyl)thiophen-2-yl)sulfonyl]azanide
InChI key:GABSTAFOMFJFOI-UHFFFAOYSA-M

分子式:C29H31N4NaO5S2
分子量:602.7
氢键供体数 (HBD):1
氢键受体数 (HBA):7
LogP:6.154243
SMILES:[Na+].CCNC(=O)[N-]S(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(C=O)c(OC)nc2-c2ccccc2)cc1
SMILES:[Na+].CCNC(=O)[N-]S(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(C=O)c(OC)nc2-c2ccccc2)cc1

AVE 0991 competes for high-affinity binding of [125I]-Ang-(1-7) to bovine aortic endothelial cell membranes, with IC50 of 21±35 nM. AVE 0991 sodium salt is a nonpeptide and orally active Ang-(1-7) receptor Mas agonist.

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