Compound ID | 3640

Update compound information

1,4-Benzodioxane thiazolidinedione piperazine derivative 6j

Synonym(s): (5Z)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]-1,3-thiazolidine-2,4-dione  |  Compound 22

Class: Small molecule antibacterial agent

Agent Type: Synthetic; Small molecule; Direct acting;
Spectrum of activity: Gram-negative
Mechanism of action: Fatty acid synthesis inhibitor. FabH inhibitor (Fatty acid biosynthesis: 3-oxoacyl-[acyl-carrier-protein] synthase III inhibitor)
Target Pathogen: Active against Escherichia coli and Pseudomonas aeruginosa
Description: Synthetic compound
Institute where first reported: Zhejiang University of Science & Technology
Year first mentioned: 2019
Development status: Experimental
Chemical structure(s):
Click here for structure editor
Molecular weight:
Iso. SMILES: C1CN(CCN1CC(=O)N2C(=O)/C(=C/C3=CC4=C(C=C3)OCCO4)/SC2=O)C5=CC=CC=N5
InChI Key: IRPPWAUEOZWGMG-RGEXLXHISA-N
Can. SMILES: C1=CC(=NC=C1)N2CCN(CC2)CC(=O)N3C(=O)/C(=C/C4=CC=C5C(=C4)OCCO5)/SC3=O
InChI: InChI=1S/C23H22N4O5S/c28-21(15-25-7-9-26(10-8-25)20-3-1-2-6-24-20)27-22(29)19(33-23(27)30)14-16-4-5-17-18(13-16)32-12-11-31-17/h1-6,13-14H,7-12,15H2/b19-14-
External links:
Structure link: https://pubchem.ncbi.nlm.nih.gov/compound/171346339
Citations:
  • https://www.sciencedirect.com/science/article/pii/S0223523420303901?via%3Dihub
  • https://www.sciencedirect.com/science/article/pii/S0045206819303864#s0010

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