2-(3,4-Dichlorophenyl)-N-(4-(N-(5-methylisoxazol-3-yl)sulfamoyl)phenyl)acetamide
Basic information
- CAS
735303-62-5- Standard SMILES
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)no1- InChIKey
PQGSZGZBPBWIPC-UHFFFAOYSA-N- Molecular formula
- C18H15Cl2N3O4S
- Average molar mass
- 440.3 g/mol
Names & identifiers
- Preferred name
- 2-(3,4-Dichlorophenyl)-N-(4-(N-(5-methylisoxazol-3-yl)sulfamoyl)phenyl)acetamide
- IUPAC
- 2-(3,4-dichlorophenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
- English name
- Benzeneacetamide, 3,4-dichloro-N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]-
- Molecular formula
- C18H15Cl2N3O4S
- Molecular weight
- 440.3
Names & synonyms
735303-62-52-(3,4-Dichlorophenyl)-N-(4-(N-(5-methylisoxazol-3-yl)sulfamoyl)phenyl)acetamideWAY-616763PFK-IN-1CHEMBL13944022-(3,4-dichlorophenyl)-N-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}acetamideMLS002158384C18H15Cl2N3O4Sorb2945777HMS3023K12EX-A6524BDBM50446129
Show more names
Benzeneacetamide, 3,4-dichloro-N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]-
MFCD04606603AKOS034184123EBC-157024NCGC00242251-01AS-87899SMR001240857HY-128268G70838
Database identifiers
- CAS
735303-62-5- ChEMBL
CHEMBL1394402
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 637
Chemistry & industry
Applications
UsesPFK-IN-1 (compound 1) is a phosphofructokinase (PFK) inhibitor, with IC50 values of 0.41 and 0.23 μM against T.brucei and T.cruzi PFK, respectively, and an ED50 of 15.18 μg/mL for T.brucei. The half-lives of PFK-IN-1 in rat and mouse liver microsomes are 9.7 and 408 minutes, respectively[1].
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Compound notes
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