Compound ID | 2238

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Pyrimidomycin

Class: Natural product antibiotic

Agent Type: Natural product; Small molecule;
Spectrum of activity: Gram-positive & Antimycobacterial
Mechanism of action: Unknown
Target Pathogen: Active against Staphylococcus aureus, Streptococcus pyogenes, Bacillus cereus, Bacillus subtilis, MRSA, and Mycobacterium smegmatis
Description: Natural product from Streptomyces sp. PSAA01 (=MTCC 13,157); synergistic effect observed with chloramphenicol, vancomycin, and penicillin; also inhibits biofilm formation; non-cytotoxic to human cell line (HuH-7); a pyrimidine moiety
Year first mentioned: 2022
Development status: Experimental
Chemical structure(s):
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Molecular weight: 746.92
Iso. SMILES: C/C(/CC1=CC(/C=C/C(/C=C/C=O)CC)=CC(CC2=CNC(C(C)=N2)=O)=N1)=C(/CC3=CC(/C=C/S(/C(/C)=C/C=O)=O)=CC(CC=4N=C(C)C(NC4)=O)=N3)\C
InChI Key: WHCXPJQIIKSDNK-YUXBHJTRSA-N
Can. SMILES: CCC(/C=C/C=O)/C=C/C1=CC(=NC(=C1)C/C(=C(/C)\CC2=CC(=CC(=N2)CC3=CNC(=O)C(=N3)C)/C=C/S(=O)/C(=C/C=O)/C)/C)CC4=CNC(=O)C(=N4)C
InChI: InChI=1S/C42H46N6O5S/c1-7-32(9-8-14-49)10-11-33-19-35(47-37(20-33)23-39-25-43-41(51)30(5)45-39)17-27(2)28(3)18-36-21-34(13-16-54(53)29(4)12-15-50)22-38(48-36)24-40-26-44-42(52)31(6)46-40/h8-16,19-22,25-26,32H,7,17-18,23-24H2,1-6H3,(H,43,51)(H,44,52)/b9-8+,11-10+,16-13+,28-27-,29-12+
External links:
Citation: https://www.nature.com/articles/s41598-022-14549-4#Sec17

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