Name: O-Demethyl Apremilast
Rating: 5 (10 reviews)

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HIT ID:HIT214320869
Cas No:1384441-38-6
常用名:O-Demethyl Apremilast
IUPAC:N-{2-[(1S)-1-(3-ethoxy-4-hydroxyphenyl)-2-methanesulfonylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide
IUPAC:N-{2-[(1S)-1-(3-ethoxy-4-hydroxyphenyl)-2-methanesulfonylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide
InChI key:PEUJABWEZWJNBO-MRXNPFEDSA-N

分子式:C21H22N2O7S
分子量:446.47
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCOc1cc(ccc1O)[C@@H](CS(C)(=O)=O)N1C(=O)c2cccc(NC(C)=O)c2C1=O
SMILES:CCOc1cc(ccc1O)[C@@H](CS(C)(=O)=O)N1C(=O)c2cccc(NC(C)=O)c2C1=O

O-Demethyl apremilast is an active metabolite of the phosphodiesterase 4 (PDE4) inhibitor apremilast .1It inhibits the activity of PDE4 isolated from U937 cells and LPS-induced TNF-α production in isolated human peripheral blood mononuclear cells (PBMCs; IC50s = 8.3 and 5.6 μM, respectively). O-Demethyl apremilast is also an oxidative degradation product of apremilast.2,3

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