EF-5

Chemical Information
EF5 is a fluorinated derivative of the 2-nitroimidazole etanidazole. EF5 is effective in accessing oxygen levels in tumor tissue through its adduct formation to intracellular macromolecules in the absence of oxygen. Reduction of this agent is carried out by a diverse group of enzymes in the cytoplasm, microsomes and mitochondria. Tissue hypoxia detection via EF5 has been reported in several cancers, including squamous cell carcinoma of the cervix and the head and neck, and in sarcoma.
| CAS Number | 152721-37-4 |
| PubChem CID | 389053 |
| IUPAC Name | 2-(2-nitroimidazol-1-yl)-N-(2,2,3,3,3-pentafluoropropyl)acetamide |
| Molecular Formula | C8H7F5N4O3 |
| Molecular Weight | 302.16 |
| XLogP | 1.1 |
| Topological Polar Surface Area | 92.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 383 |
| Property | Value |
|---|---|
| Molecular Weight | 302.16 |
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 302.04383091 |
| Monoisotopic Mass | 302.04383091 |
| Topological Polar Surface Area | 92.7 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 383 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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