Compound ID | 2932

Update compound information

DDC18–8A

Class: Membrane-active agent

Agent Type: Synthetic; Direct acting;
Spectrum of activity: Gram-positive & Gram-negative
Mechanism of action: Membrane-active agent. Inserts into bacterial cell membrane triggering cell lysis
Target Pathogen: Active against Staphylococcus aureus, susceptible and multidrug-resistant Escherichia coli, susceptible and multidrug-resistant Acinetobacter baumannii, Pseudomonas aeruginosa, Salmonella enteritidis, and Vibrio parahemolyticus
Description: Synthetic compound; amphiphilic dendrimer (antimicrobial peptide mimic); reduces bacterial burden in mice pneumonia infection by Pseudomonas aeruginosa (5.04 log CFU), MRSA (2.69 log CFU), and Klebsiella pneumoniae (1.81 log CFU)
Year first mentioned: 2022
Development status: Experimental
Chemical structure(s):
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Molecular weight: 1948.63
Iso. SMILES: CCCCCCCCCCCCCCCCCCN1C=C(N=N1)CN(CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN
InChI Key: GWDZXJGCOSSQQG-UHFFFAOYSA-N
Can. SMILES: CCCCCCCCCCCCCCCCCCN1C=C(CN(CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)CCC(=O)NCCN(CCC(=O)NCCN)CCC(=O)NCCN)N=N1
InChI: InChI=1S/C91H182N32O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-54-123-76-77(114-115-123)75-122(67-30-90(136)112-52-73-120(63-26-86(132)108-48-69-116(55-18-78(124)100-40-32-92)56-19-79(125)101-41-33-93)64-27-87(133)109-49-70-117(57-20-80(126)102-42-34-94)58-21-81(127)103-43-35-95)68-31-91(137)113-53-74-121(65-28-88(134)110-50-71-118(59-22-82(128)104-44-36-96)60-23-83(129)105-45-37-97)66-29-89(135)111-51-72-119(61-24-84(130)106-46-38-98)62-25-85(131)107-47-39-99/h76H,2-75,92-99H2,1H3,(H,100,124)(H,101,125)(H,102,126)(H,103,127)(H,104,128)(H,105,129)(H,106,130)(H,107,131)(H,108,132)(H,109,133)(H,110,134)(H,111,135)(H,112,136)(H,113,137)
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/71466771
Citations:
  • https://pubs.acs.org/doi/10.1021/acsinfecdis.3c00425
  • https://pubs.rsc.org/en/content/articlelanding/2022/nr/d2nr02305a

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