OpenSourceMalaria:GSK Triazolourea Singleton

From OpenWetWare

(Difference between revisions)
Jump to: navigation, search
(GSK Triazolourea Singleton)
Line 6: Line 6:
[[Image:Triazolourea.PNG|thumb|center|180px|GSK Triazolourea Singleton: TCMDC 134395]]
[[Image:Triazolourea.PNG|thumb|center|180px|GSK Triazolourea Singleton: TCMDC 134395]]
-
(detail goes here)
+
[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 08:59, 7 February 2012

Malaria Home        OSM So Far        Compound Series        Links        Open Source Research Home        Tech Ops        FAQ       


GSK Triazolourea Singleton

The triazolourea singleton has the following structure:

GSK Triazolourea Singleton: TCMDC 134395
GSK Triazolourea Singleton: TCMDC 134395

| ChEMBL

| 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:

Proposed synthesis for the above compound
Proposed synthesis for the above compound

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).

Personal tools