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24th April 2013 @ 01:40

Biological evaluation of OSM-S-117 through 138 (also OSM-S-107) performed in Vicky Avery's lab by Sabine Fletcher.

Data for previous OSM-S compounds can be found here - OSM Compound List

Unfortunately only two (OSM-S- 137 and 138) were active on 3D7.

The summary also contains information about the solubility: several of the compounds turned opaque when diluted down to 4% DMSO, which suggests poor solubility in this condition. I made sure to mix the compounds very well before the final 1:10 dilution step in the assay plate.

One compound (OSM-S-134) did not dissolve well in 100% DMSO. It still contained many needle-like crystals after shaking over night, which means that we do not know the actual concentration of the dissolved compound in the assay. As tested here, it was completely inactive.


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2013_04_23 summary report Sydney cpds batch 5+6.xlsx
2013_04_23 Sydney batch 5.pdf
2013_04_23 Sydney batch 6.pdf

Depictions of Data including cLogP values and comments on solubility:

Activities of hit vs simple analogs

Hit compound vs simple analogs

Variation of amine to morpholine


Variation in amine component

Variations in Amine

Comparison with known other TCMDC hits

Comparisons with TCMDC compounds


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20th February 2013 @ 02:46

Biological evaluation of OSM-S-106 through 116 (excluding OSM-S-107) performed in Vicky Avery's lab by Sabine Fletcher.

The compounds look good in this round - all but cpd OSM-S-113 show activity.

I already ran the cytotoxicity as well, and none of the compounds was particularly cytotoxic (see 'summary report' file and curves in PDF).

Solubility: minor floating specks after dissolving in OSM-S-106; all others fine

Unfortunately I made a minor mistake: I started the Artemisinin CRC curve at the wrong concentration, 40 uM (same concentration as the compounds) as opposed to the usual 2 uM. The IC50 value obtained for the control is correct (4 nM), just the x-axis range of the curve is different compared to the previous runs. Sorry for that!



Displacement Curves

2013_02_19 Sydney cpds batch 4 on 3D7 page1.pdf
2013_02_19 Sydney cpds batch 4 on 3D7 page 2.pdf

2013_02_19 Sydney cpds batch 4 on HEK page 1.pdf


ID InChI 3D7 IC50 (nM)
OSM-S-106  InChI=1S/C12H10N4O2S2/c13-12-11-9(15-6-16-12)5-10(19-11)7-2-1-3-8(4-7)20(14,17)18/h1-6H,(H2,13,15,16)(H2,14,17,18)  36
OSM-S-108  InChI=1S/C16H15N3OS/c1-10-8-12(11(2)17-10)9-14-15(20)19-16(21-14)18-13-6-4-3-5-7-13/h3-9,17H,1-2H3,(H,18,19,20)/b14-9-  1200
 OSM-S-109  InChI=1S/C22H18N4O3S/c1-14-12-16(15(2)25(14)18-8-10-19(11-9-18)26(28)29)13-20-21(27)24-22(30-20)23-17-6-4-3-5-7-17/h3-13H,1-2H3,(H,23,24,27)/b20-13-  262
 OSM-S-110  InChI=1S/C22H18N4O4S/c1-13-10-15(14(2)25(13)17-6-8-18(9-7-17)26(29)30)11-20-21(28)24-22(31-20)23-16-4-3-5-19(27)12-16/h3-12,27H,1-2H3,(H,23,24,28)/b20-11-  2300
 OSM-S-111   InChI=1S/C23H21N3O2S/c1-15-13-17(16(2)26(15)19-9-11-20(28-3)12-10-19)14-21-22(27)25-23(29-21)24-18-7-5-4-6-8-18/h4-14H,1-3H3,(H,24,25,27)/b21-14-  146


 OSM-S-113  InChI=1S/C21H18N4O2S/c1-13-11-15(14(2)25(13)19-5-3-4-10-22-19)12-18-20(27)24-21(28-18)23-16-6-8-17(26)9-7-16/h3-12,26H,1-2H3,(H,23,24,27)/b18-12-  >40,000




OSM-S-35  InChI=1S/C22H19N3OS/c1-15-13-17(16(2)25(15)19-11-7-4-8-12-19)14-20-21(26)24-22(27-20)23-18-9-5-3-6-10-18/h3-14H,1-2H3,(H,23,24,26)/b20-14-  38
OSM-S-116 InChI=1S/C16H17FN2O3/c1-9-8-14(16(21)22-11(3)15(18)20)10(2)19(9)13-6-4-12(17)5-7-13/h4-8,11H,1-3H3,(H2,18,20)  11000


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