Name: NO-Indomethacin
Rating: 5 (10 reviews)

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HIT ID:HIT214321196
Cas No:301838-28-8
常用名:NO-Indomethacin
IUPAC:4-(nitrooxy)butyl (2S)-3-({2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}sulfanyl)-2-acetamidopropanoate
IUPAC:4-(nitrooxy)butyl (2S)-3-({2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}sulfanyl)-2-acetamidopropanoate
InChI key:VRJSAIFPCMOTPZ-XMMPIXPASA-N

分子式:C28H30ClN3O9S
分子量:620.07
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)SC[C@@H](NC(C)=O)C(=O)OCCCCON(=O)=O)c2c1
SMILES:COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)SC[C@@H](NC(C)=O)C(=O)OCCCCON(=O)=O)c2c1

NO-indomethacin is a hybrid molecule of indomethacin and a nitric oxide (NO) donor. This drug design combines the anti-inflammatory properties of a non-steroidal anti-inflammatory drug (NSAID) with the gastrointestinal protective effects of NO. Compounds of this class retain their anti-inflammatory and analgesic activity, but have reduced gastrointestinal and kidney toxicity compared to the NSAID alone. NO-indomethacin also enhances the cancer chemopreventative activity of indomethacin. NO-indomethacin exhibits an IC50 of 82 μM, compared to >1,000 μM for indomethacin alone, for the inhibition of pancreatic cancer cell (PaCa-2) growth after 24 hours in culture.

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