OpenSourceMalaria:GSK Triazolourea Singleton
GSK Triazolourea Singleton
The triazolourea singleton has the following structure:
SMILES: CN(C)C(=O)n1cnc(n1)S(=O)(=O)N(C)c2ccc(Cl)cc2
InChI=1S/C12H14ClN5O3S/c1-16(2)12(19)18-8-14-11(15-18)22(20,21)17(3)10-6-4-9(13)5-7-10/h4-8H,1-3H3
Synthesis
The proposed synthesis for this compound is below:
Step 3 in particular needs attention and since this is an open project, anyone can contribute to improving this synthesis. The following, from (insert citation) is a possible alternative. Any input is greatly appreciated.
References
Yasuda, N.; Nagakura, T.; Yamazaki, K.; Yoshikawa, S.; Okuda, T.; Ikuta, H.; Koyanagi, M. ( Eisai Co., Ltd.). Preparation of N-carbamoylazoles as dipeptidyl peptidase IV inhibitors. European Patent 1 258 480 A1, 2002; SciFinder Scholar AN 2002:886010 (accessed 2/3/2012).