OpenSourceMalaria:GSK Arylpyrrole Series: Difference between revisions
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{{OSDDMalaria}} | {{OSDDMalaria}} | ||
1) The initial two leads have the general structure:<br> | |||
[[Image:Arylpyrrole Generic.png|none|left|120px|GSK Tres Cantos Arylpyrrole Generic Structure]]<br> | [[Image:Arylpyrrole Generic.png|none|left|120px|GSK Tres Cantos Arylpyrrole Generic Structure]]<br> | ||
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Compounds are [http://www.thesynapticleap.org/node/345 commercially-available]<br> | Compounds are [http://www.thesynapticleap.org/node/345 commercially-available]<br> | ||
Series was [http://pubs.acs.org/doi/abs/10.1021/ml200135p listed as one of the most promising leads] from TCAMS set (though lacking aryl F)<br> | Series was [http://pubs.acs.org/doi/abs/10.1021/ml200135p listed as one of the most promising leads] from TCAMS set (though lacking aryl F)<br> | ||
2) The two known series examples:<br> | |||
'''TCMDC 123812'''<br> | '''TCMDC 123812'''<br> | ||
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Resynthesis:<br> | Resynthesis:<br> | ||
The proposed resynthesis strategy for these two compounds:<br> | |||
[[Image:arylpyrrolesynth.png|none|600px|left|Proposed Strategy]]<br> | [[Image:arylpyrrolesynth.png|none|600px|left|Proposed Strategy]]<br> | ||
3) Known "Near Neighbours" contained in the Tres Cantos set | |||
[[Image:Near neighbours.png|none|600px|left|Known GSK Arylpyrrole Near Neighbours]]<br> | |||
Data for these compounds: | |||
Revision as of 00:39, 28 August 2011
1) The initial two leads have the general structure:
These compounds are currently under study by the Todd lab at the University of Sydney and the Medicines for Malaria Venture, Geneva. As an open source project, anyone may participate:
Coordination/Discussion site
Electronic Lab Notebooks
Compounds are commercially-available
Series was listed as one of the most promising leads from TCAMS set (though lacking aryl F)
2) The two known series examples:
TCMDC 123812
InChI=1/C15H15FN2O3/c1-9-7-13(15(20)21-8-14(17)19)10(2)18(9)12-5-3-11(16)4-6-12/h3-7H,8H2,1-2H3,(H2,17,19)
SMILES: O=C(N)COC(=O)c2c(n(c1ccc(F)cc1)c(c2)C)C
CAS Registry Number: 733026-12-5
Chemspider page
ChEMBL Page
Resynthesis:
TCMDC 123794
InChI=1/C26H25FN4O4/c1-16-14-22(17(2)30(16)20-12-10-19(27)11-13-20)26(34)35-15-23(32)28-24-18(3)29(4)31(25(24)33)21-8-6-5-7-9-21/h5-14H,15H2,1-4H3,(H,28,32)
SMILES: Fc1ccc(cc1)n2c(cc(c2C)C(=O)OCC(=O)NC=4C(=O)N(c3ccccc3)N(C=4C)C)C
Chemspider page
ChEMBL Page
Resynthesis:
The proposed resynthesis strategy for these two compounds:
3) Known "Near Neighbours" contained in the Tres Cantos set
Data for these compounds:
