Compound ID | 3627

Update compound information

(3S,4S)-4-((3-fluoro-4'-((S)-4-hydroxy-3-(2-((S)-1-hydroxyethyl-1H-imidazol-1-yl)but-1-yn-1-yl)-[1,1'-biphenyl]-4-4-yl)methoxy)tetrahydrofuran-3-ol

Synonym(s): Heterocyclic compound 45

Class: Lipopolysaccharide synthesis inhibitor

Agent Type: Synthetic; Small molecule; Direct acting;
Spectrum of activity: Gram-negative
Mechanism of action: Lipopolysaccharide synthesis inhibitor. Part of series of compounds which are LpxC modulators, agonists, or inhibitors
Target Pathogen: Active against Escherichia coli
Description: Synthetic compound; analogues reported
Institute where first reported: Blacksmith Medicines, Inc. (USA)
Year first mentioned: 2024
Development status: Experimental
Chemical structure(s):
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Molecular weight: 416.51
Iso. SMILES: C[C@@H](C1=NC=CN1[C@H](CO)C#CC2=CC=C(C=C2)C3=CC=C(C=C3)C4CC(C4)OC)O
InChI Key: VLJMXABRIOPRPL-BSAKGKMISA-N
Can. SMILES: C[C@@H](C1=NC=CN1[C@@H](C#CC2=CC=C(C=C2)C3=CC=C(C=C3)C4CC(C4)OC)CO)O
InChI: InChI=1S/C26H28N2O3/c1-18(30)26-27-13-14-28(26)24(17-29)12-5-19-3-6-20(7-4-19)21-8-10-22(11-9-21)23-15-25(16-23)31-2/h3-4,6-11,13-14,18,23-25,29-30H,15-17H2,1-2H3/t18-,23?,24-,25?/m0/s1
External links:
Structure link: https://pubchem.ncbi.nlm.nih.gov/compound/170792763
Citations:
  • https://patentscope.wipo.int/search/en/detail.jsf?docId=WO2024036176
  • https://patents.google.com/patent/WO2024036176A1/en?oq=WO2024%2f036176+Al
    • Patent: WO2024036176A1 | WO/2024/036176

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