Introduction：Basic information about CAS 1518800-35-5|Afabicin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Afabicin |
|---|
| CAS Number | 1518800-35-5 | Molecular Weight | 485.426 |
|---|
| Density | 1.4±0.1 g/cm3 | Boiling Point | 876.6±75.0 °C at 760 mmHg |
|---|
| Molecular Formula | C23H24N3O7P | Melting Point | / |
|---|
| MSDS | / | Flash Point | 483.9±37.1 °C |
|---|
Names
| Name | afabicin |
|---|
| Synonym | More Synonyms |
|---|
Afabicin BiologicalActivity
| Description | Afabicin 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. |
|---|
| Related Catalog | Signaling Pathways >>Anti-infection >>BacterialResearch Areas >>Infection |
|---|
| Target | FabI, Bacterial[1] |
|---|
| In Vitro | Afabicin (Debio1450) is the prodrug of Debio1452, specifically targeting staphylococci without significant activity against other Gram-positive or Gram-negative species. Debio1452 inhibits FabI, an enzyme critical to fatty acid biosynthesis in staphylococci. Debio1452 is highly active against staphylococci isolates, with MIC50 and MIC90 values of 0.015 μg/mL and 0.12 μg/mL, respectively. Debio1452 also inhibits S. aureus, with MICs of ≤0.12 μg/mL and MIC50 and MIC90 values of 0.004 μg/mL and 0.008 μg/mL, respectively[1]. |
|---|
| References | [1]. Flamm RK, et al. Activity of Debio1452, a FabI inhibitor with potent activity against Staphylococcus aureus and coagulase-negative Staphylococcus spp., including multidrug-resistant strains. Antimicrob Agents Chemother. 2015 May;59(5):2583-7. |
|---|
Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
|---|
| Boiling Point | 876.6±75.0 °C at 760 mmHg |
|---|
| Molecular Formula | C23H24N3O7P |
|---|
| Molecular Weight | 485.426 |
|---|
| Flash Point | 483.9±37.1 °C |
|---|
| Exact Mass | 485.135193 |
|---|
| LogP | 0.87 |
|---|
| Vapour Pressure | 0.0±0.3 mmHg at 25°C |
|---|
| Index of Refraction | 1.667 |
|---|
| InChIKey | HFYMDQMXVPJNTH-VQHVLOKHSA-N |
|---|
| SMILES | Cc1c(CN(C)C(=O)C=Cc2cnc3c(c2)CCC(=O)N3COP(=O)(O)O)oc2ccccc12 |
|---|
Synonyms
| {6-[(1E)-3-{Methyl[(3-methyl-1-benzofuran-2-yl)methyl]amino}-3-oxo-1-propen-1-yl]-2-oxo-3,4-dihydro-1,8-naphthyridin-1(2H)-yl}methyl dihydrogen phosphate |
| 2-Propenamide, N-methyl-N-[(3-methyl-2-benzofuranyl)methyl]-3-[5,6,7,8-tetrahydro-7-oxo-8-[(phosphonooxy)methyl]-1,8-naphthyridin-3-yl]-, (2E)- |
| afabicin |
| DMM8663H2R |
