N-(2-Cyanoethyl)-N-[(1,1-dimethylethoxy)carbonyl]-β-Alanine Ethyl Ester - CAS 266353-22-4

Catalog: BB069130
Product Name: N-(2-Cyanoethyl)-N-[(1,1-dimethylethoxy)carbonyl]-β-Alanine Ethyl Ester
CAS: 266353-22-4
Synonyms: Ethyl 3-((tert-Butoxycarbonyl)(2-isocyanoethyl)amino)propanoate
N-(2-Cyanoethyl)-N-[(1,1-dimethylethoxy)carbonyl]-β-Alanine Ethyl Ester
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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