Compound ID | 2803

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Ethylenediaminetetraacetic acid (EDTA)/polymyxin B

Class: Small molecule antibacterial agent

Spectrum of activity: Gram-positive  &  Gram-negative
Details of activity: Active against planktonic Staphylococcus aureus, and planktonic and biofilm Pseudomonas aeruginosa infection
Combined with other compounds: Yes
Description: EDTA and polymyxin B shows synergistic effect in eradicating Pseudomonas aeruginosa biofilm infection; shows 1.5 log CFU/ml reduction of Staphylococcus aureus in murine nasal tissue infection
Institute where first reported: Department of Surgery, Faculty of Medical and Health Sciences, The University of Auckland, Grafton, Auckland, New Zealand
Year first mentioned: 2024
Development status: Experimental
Chemical structure(s):
Ethylenediaminetetraacetic acid (EDTA)
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Molecular weight: 292.24
Iso. SMILES: C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
InChI Key: KCXVZYZYPLLWCC-UHFFFAOYSA-N
Can. SMILES: C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
InChI: InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
polymyxin B
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Molecular weight: 1203.48
Iso. SMILES: CCC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCN)CC2=CC=CC=C2)CC(C)C)CCN)CCN)C(C)O
InChI Key: WQVJHHACXVLGBL-UHFFFAOYSA-N
Can. SMILES: CCC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(C(C)O)NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(CC(C)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCN)NC1=O
InChI: InChI=1S/C56H98N16O13/c1-7-32(4)13-11-12-16-44(75)63-36(17-23-57)51(80)72-46(34(6)74)56(85)68-39(20-26-60)48(77)67-41-22-28-62-55(84)45(33(5)73)71-52(81)40(21-27-61)65-47(76)37(18-24-58)66-53(82)42(29-31(2)3)69-54(83)43(30-35-14-9-8-10-15-35)70-49(78)38(19-25-59)64-50(41)79/h8-10,14-15,31-34,36-43,45-46,73-74H,7,11-13,16-30,57-61H2,1-6H3,(H,62,84)(H,63,75)(H,64,79)(H,65,76)(H,66,82)(H,67,77)(H,68,85)(H,69,83)(H,70,78)(H,71,81)(H,72,80)
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/4868
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/6049
Citation: https://journals.asm.org/doi/10.1128/spectrum.01709-23

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