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Literature summary for 1.2.1.5 extracted from

  • Buchman, C.D.; Hurley, T.D.
    Inhibition of the aldehyde dehydrogenase 1/2 family by psoralen and coumarin derivatives (2017), J. Med. Chem., 60, 2439-2455 .
    View publication on PubMedView publication on EuropePMC
Search for more literature for 1.2.1.5

Inhibitors

Inhibitors Comment Organism Structure
2,3,5-trimethyl-6-propyl-7H-furo[3,2-g][1]benzopyran-7-one 13.7% inhibition at 0.01 mM Homo sapiens
2,3-dimethyl-5-propyl-7H-furo[3,2-g][1]benzopyran-7-one 19.6% inhibition at 0.01 mM Homo sapiens
2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamide 32.9% inhibition at 0.01 mM Homo sapiens
2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoic acid 6.1% inhibition at 0.01 mM Homo sapiens
2H-furo[2,3-h][1]benzopyran-2-one 71.7% inhibition at 0.01 mM Homo sapiens
3,4,10-trimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2,6-dione 20.8% inhibition at 0.01 mM Homo sapiens
3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate 13.1% inhibition at 0.01 mM Homo sapiens
3-tert-butyl-5,6-dimethyl-7H-furo[3,2-g][1]benzopyran-7-one 13.0% inhibition at 0.01 mM Homo sapiens
4-methyl-7-(2-oxo-2-phenylethoxy)-2H-1-benzopyran-2-one 32.9% inhibition at 0.01 mM Homo sapiens
4-methyl-7-(2-oxopropoxy)-2H-1-benzopyran-2-one 35.9% inhibition at 0.01 mM Homo sapiens
4-methyl-7-[(3-methylbut-2-en-1-yl)oxy]-2H-1-benzopyran-2-one 76.4% inhibition at 0.01 mM Homo sapiens
4-methyl-7-[(prop-2-en-1-yl)oxy]-2H-1-benzopyran-2-one 90.5% inhibition at 0.01 mM Homo sapiens
5-benzyl-2,3-dimethyl-7H-furo[3,2-g][1]benzopyran-7-one 18.4% inhibition at 0.01 mM Homo sapiens
6-benzyl-3,5-dimethyl-7H-furo[3,2-g][1]benzopyran-7-one 11.1% inhibition at 0.01 mM; 9.7% inhibition at 0.01 mM Homo sapiens
6-bromo-3-[(1E)-N-hydroxyethanimidoyl]-2H-1-benzopyran-2-one 8.3% inhibition at 0.01 mM Homo sapiens
6-methyl-3,4-dihydro-2H,8H-benzo[1,2-b:5,4-b']dipyran-2,8-dione 46.4% inhibition at 0.01 mM Homo sapiens
7-methoxy-4-methyl-2H-1-benzopyran-2-one 63.6% inhibition at 0.01 mM Homo sapiens
8,9-dimethyl-2,3-dihydrocyclopenta[c]furo[3,2-g][1]benzopyran-4(1H)-one 12.9% inhibition at 0.01 mM Homo sapiens
9,10-dimethyl-1,2,3,4-tetrahydro-5H-6,8-dioxacyclopenta[b]phenanthren-5-one 5.9% inhibition at 0.01 mM Homo sapiens
9,10-dimethyl-5H-6,8-dioxacyclopenta[b]phenanthren-5-one 6.6% inhibition at 0.01 mM Homo sapiens
additional information inhibition of the aldehyde dehydrogenase 1/2 family by psoralen and coumarin derivatives, structure-function relationships, overview. 3,5-dimethyl-6-propyl-7H-furo[3,2-g][1]benzopyran-7-one, 2,3,5,6-tetramethyl-7H-furo[3,2-g][1]benzopyran-7-one, methyl 2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoate, 2,3,5,6,9-pentamethyl-7H-furo[3,2-g][1]benzopyran-7-one, 3,4-dimethyl-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g][1]benzopyran-2-one, 2,3,5-trimethyl-6-[3-oxo-3-(piperidin-1-yl)propyl]-7H-furo[3,2-g][1]benzopyran-7-one, 5-methyl-2-[(3-oxobutan-2-yl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one, 7-(2-oxopropoxy)-2H-1-benzopyran-2-one, 3,4,8,9-tetramethyl-7H-furo[2,3-f][1]benzopyran-7-one, 2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-N-phenylacetamide, 7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one, 3-[(3-oxobutan-2-yl)oxy]-6H-dibenzo[b,d]pyran-6-one, 3-(7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)propanoic acid, and N-(4,7-dimethyl-2-oxo-2H-1-benzopyran-6-yl)-2-methylpropanamide are inactive as inhibitors Homo sapiens
N-benzyl-3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanamide 31.7% inhibition at 0.01 mM Homo sapiens
[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetonitrile 79.6% inhibition at 0.01 mM Homo sapiens

Organism

Organism UniProt Comment Textmining
Homo sapiens P30838
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
propionaldehyde + NAD+ + H2O
-
 Homo sapiens propionate + NADH + H+
-
 ?

Synonyms

Synonyms Comment Organism
ALDH3A1
-
 Homo sapiens

Temperature Optimum [°C]

Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
25
-
 assay at Homo sapiens

pH Optimum

pH Optimum Minimum pH Optimum Maximum Comment Organism
7.5
-
 assay at Homo sapiens

Cofactor

Cofactor Comment Organism Structure
NAD+
-
 Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0054
-
 pH 7.5, 25°C Homo sapiens 6-methyl-3,4-dihydro-2H,8H-benzo[1,2-b:5,4-b']dipyran-2,8-dione