OpenSourceMalaria:GSK Triazolourea Singleton: Difference between revisions
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[[Image:Triazolourea.PNG|thumb|center|180px|GSK Triazolourea Singleton: TCMDC 134395]] | [[Image:Triazolourea.PNG|thumb|center|180px|GSK Triazolourea Singleton: TCMDC 134395]] | ||
( | [https://www.ebi.ac.uk/chembldb/index.php/compound/inspect/CHEMBL535225 | ChEMBL] | ||
[https://www.chemspider.com/Chemical-Structure.15995932.html?rid=a2f27a0f-8ab2-45dc-b772-76c0ac9d564e | ChemSpider] | |||
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: | The proposed synthesis for this compound is below: | ||
Revision as of 05:59, 7 February 2012
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).
