Name: NoxA1ds
Rating: 5 (10 reviews)

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HIT ID:HIT217658583
Cas No:1435893-78-9
常用名:NoxA1ds
IUPAC:(4S)-4-amino-5-[(2S)-2-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-5-amino-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-carbamoyl-2-methylpropyl]carbamoyl}pentyl]carbamoyl}ethyl]carbamoyl}pentyl]carbamoyl}methyl)carbamoyl]-3-methylbutyl]carbamoyl}ethyl]carbamoyl}-2-carboxyethyl]carbamoyl}-2-methylpropyl]carbamoyl}pyrrolidin-1-yl]-5-oxopentanoic acid
IUPAC:(4S)-4-amino-5-[(2S)-2-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-5-amino-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-carbamoyl-2-methylpropyl]carbamoyl}pentyl]carbamoyl}ethyl]carbamoyl}pentyl]carbamoyl}methyl)carbamoyl]-3-methylbutyl]carbamoyl}ethyl]carbamoyl}-2-carboxyethyl]carbamoyl}-2-methylpropyl]carbamoyl}pyrrolidin-1-yl]-5-oxopentanoic acid
InChI key:DHBOJLLJKHKZGT-XTGVMIFDSA-N

分子式:C50H88N14O15
分子量:1125.337
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(O)=O)C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(N)=O
SMILES:CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(O)=O)C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(N)=O

Potent and selective NADPH oxidase 1 (NOX1) inhibitor (IC50 = 20 nM). Exhibits selectivity for NOX1 over NOX2, NOX4, NOX5 and xanthine oxidase. Inhibits NOX1-derived O2- production in HT-29 human colon cancer cells. Attenuates VEGF-induced human pulmonary artery endothelial cell migration under hypoxic conditions in vitro. Cell permeable.

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