| Stereochemistry | ACHIRAL |
| Molecular Formula | C7H5F3N2O2 |
| Molecular Weight | 206.122 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F
InChI
InChIKey=UTKUVRNVYFTEHF-UHFFFAOYSA-N
InChI=1S/C7H5F3N2O2/c8-7(9,10)5-3-4(11)1-2-6(5)12(13)14/h1-3H,11H2
| Molecular Formula | C7H5F3N2O2 |
| Molecular Weight | 206.122 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
4-Nitro-3-trifluoromethylaniline is one of the two main products of flutamide metabolism in human liver microsomes. Also, it is a major urinary metabolite of S-1 [3-(4-fluorophenoxy)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-propanamide] - a member of a series of potent selective androgen receptor modulators.
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Conditions
| Condition | Modality | Targets | Highest Phase | Product |
|---|---|---|---|---|
Sample Use Guides
4-Nitro-3-trifluoromethylaniline (Flu-1) (5–100 uM) was incubated for 1 h at 37°C in an incubation system, consisting of 100 mM potassium phosphate buffer (pH 7.4), 2 mg of human liver microsomes, 5 mM of reduced glutathione (GSH), and 1 mM NADPH in a final volume of 1 ml. Two adducts (Flu-1-G1 AND Flu-1-G2) were identified and characterized.
