Name: β3-AR agonist 2
Rating: 5 (10 reviews)

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HIT ID:HIT212672984
Cas No:340757-05-3
常用名:β3-AR agonist 2
IUPAC:(2S)-2-{[4-(4-{[(2R)-2-hydroxy-2-(4-hydroxy-3-methanesulfonamidophenyl)ethyl]amino}piperidin-1-yl)phenyl]formamido}-4-methylpentanoic acid
IUPAC:(2S)-2-{[4-(4-{[(2R)-2-hydroxy-2-(4-hydroxy-3-methanesulfonamidophenyl)ethyl]amino}piperidin-1-yl)phenyl]formamido}-4-methylpentanoic acid
InChI key:UCLMKQWLGHPTKX-ZCYQVOJMSA-N

分子式:C27H38N4O7S
分子量:562.68
氢键供体数 (HBD):6
氢键受体数 (HBA):9
LogP:-0.5636142
SMILES:CC(C)C[C@H](NC(=O)c1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(O)=O
SMILES:CC(C)C[C@H](NC(=O)c1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(O)=O

β3-AR agonist 2 is a potent and selective agonist of β3-adrenergic receptor (β3-AR with an EC50 of 8 nM).

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