![N-(2-Cyanoethyl)-N-[(1,1-dimethylethoxy)carbonyl]-β-Alanine Ethyl Ester](https://resource.bocsci.com/structure/266353-22-4.gif)
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| IUPAC Name: | ethyl 3-[2-cyanoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate |
| Description: | N-(2-Cyanoethyl)-N-[(1,1-dimethylethoxy)carbonyl]-β-Alanine Ethyl Ester is an intermediate in the synthesis of GNE-781 (D447825), a derivative of a highly advanced, potent and selective bromodomain inhibitor of cyclic adenosine monophosphate response element binding protein (CBP). Inhibition of the bromodomain of the transcriptional regulator CBP/P300 is an especially interesting new therapeutic approach in oncology. |
| Molecular Weight: | 270.32 |
| Molecular Formula: | C13H22N2O4 |
| Canonical SMILES: | CCOC(=O)CCN(CCC#N)C(=O)OC(C)(C)C |
| InChI: | InChI=1S/C13H22N2O4/c1-5-18-11(16)7-10-15(9-6-8-14)12(17)19-13(2,3)4/h5-7,9-10H2,1-4H3 |
| InChI Key: | PFLUMIJVNZJWQR-UHFFFAOYSA-N |
| References: | Romero, F.A.; et al. J. Med. Chem, DOI: 10.1021/acs.jmedchem.7b00796 (2017). |
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