Afabicin

• CAS: 1518800-35-5
• Catalog Number: ACM1518800355
• Category: Inhibitors
• Molecular Weight: 485.43
• Molecular Formula: C23H24N3O7P
• Description: Afabicin (formerly Debio 1450, AFN-1720) is a prodrug of afabicin desphosphono, an enoyl-acyl carrier protein reductase (FabI) inhibitor, and is a first-in-class antibiotic with a novel mode of action to specifically target fatty acid synthesis in Staphylococcus spp.
• Synonyms: Afabicin; Debio 1450; Debio-1450; Debio1450; AFN-1720; AFN 1720; AFN1720
• IUPAC Name: (E)-(6-(3-(methyl((3-methylbenzofuran-2-yl)methyl)amino)-3-oxoprop-1-en-1-yl)-2-oxo-3,4-dihydro-1,8-naphthyridin-1(2H)-yl)methyl dihydrogen phosphate
• Canonical SMILES: O=P(O)(OCN1C(CCC2=CC(/C=C/C(N(C)CC(O3)=C(C)C4=C3C=CC=C4)=O)=CN=C12)=O)O
• InChI: InChI=1S/C23H24N3O7P/c1-15-18-5-3-4-6-19(18)33-20(15)13-25(2)21(27)9-7-16-11-17-8-10-22(28)26(23(17)24-12-16)14-32-34(29,30)31/h3-7,9,11-12H,8,10,13-14H2,1-2H3,(H2,29,30,31)/b9-7+
• InChI Key: HFYMDQMXVPJNTH-VQHVLOKHSA-N
• Solubility: Soluble in DMSO
• Appearance: Solid powder
• Shelf Life: >2 years if stored properly
• Storage: Dry, dark and at 0-4 °C for short term (days to weeks) or -20 °C for long term (months to years).
• Alternative CAS: 1518800-40-2 (potassium); 1518800-35-5 (free acid); 1518800-53-7 (calcium); 1518800-29-7 (sodium); 1518800-36-6 (diolamine)
• Biological Target: Afabicin (Debio 1450) is the prodrug of Debio1452, specifically targeting staphylococci without significant activity against other; Gram-positive or Gram-negative species. Debio1452 is an inhibitor FabI, an enzyme critical to fatty acid biosynthesis in; staphylococci.
• Drug Formulation: This drug may be formulated in DMSO
• Elemental Analysis: C, 56.91; H, 4.98; N, 8.66; O, 23.07; P, 6.38
• Exact Mass: 485.1352
• HS Tariff Code: 2934.99.9001
• In Vivo Activity: TBD
• Shipping: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
• Stock Solution Storage: 0-4 °C for short term (days to weeks), or -20 °C for long term (months).