![Methyl 4-[(1-cyano-1-methylethyl)amino]benzoate](https://resource.bocsci.com/structure/107553-81-1.gif)
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| IUPAC Name: | methyl 4-(2-cyanopropan-2-ylamino)benzoate |
| Description: | Methyl 4-[(1-cyano-1-methylethyl)amino]benzoate is an intermediate in the synthesis of Defluoro-MDV 3100 (D228590), an impurity of Enzalutamide (M199800), which 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. Enzalutamide has been shown to induce tumor cell apoptosis, and is used for the treatment of castration-resistant prostate cancer. |
| Molecular Weight: | 218.25 |
| Molecular Formula: | C12H14N2O2 |
| Canonical SMILES: | CC(C)(C#N)NC1=CC=C(C=C1)C(=O)OC |
| InChI: | InChI=1S/C12H14N2O2/c1-12(2,8-13)14-10-6-4-9(5-7-10)11(15)16-3/h4-7,14H,1-3H3 |
| InChI Key: | UKRKHFCSBQHMHV-UHFFFAOYSA-N |
| References: | Scher, H.I. et al. Lancet, 375, 1437 (2010); Bellmunt, J. et al. Ther. Adv. Med. Oncol., 2, 189 (2010); Ryan, C.J. et al. J. Clin. Oncol., 29, 3651 (2011); Ma, X., et al. J. Pharm. Biomed. Anal., 131, 436 (2016). |
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