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| IUPAC Name: | tert-butyl 4-bromo-2-fluorobenzoate |
| Description: | tert-Butyl 4-Bromo-2-fluorobenzoate (CAS# 889858-12-2) is an intermediate of enzalutamide (M199800). Enzalutamide is an androgen-receptor antagonist that blocks androgens from binding to the androgen receptor and prevents nuclear translocation and co-activator recruitment of the ligand-receptor complex. MDV 3100 has also been shown to induce tumor cell apoptosis, and has no agonist activity. MDV 3100 is a candidate for the treatment of CAStration-resistant prostate cancer. |
| Molecular Weight: | 275.11 |
| Molecular Formula: | C11H12BrFO2 |
| Canonical SMILES: | CC(C)(C)OC(=O)C1=C(C=C(C=C1)Br)F |
| InChI: | InChI=1S/C11H12BrFO2/c1-11(2,3)15-10(14)8-5-4-7(12)6-9(8)13/h4-6H,1-3H3 |
| InChI Key: | ZPGZHSAOCVWZMR-UHFFFAOYSA-N |
| Boiling Point: | 281 °C at 760 mmHg |
| Density: | 1.394 g/cm3 |
| Appearance: | Colorless to yellowish oily liquid |
| LogP: | 3.54350 |
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(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
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