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. Author manuscript; available in PMC: 2012 Aug 1.
Published in final edited form as: Bioorg Med Chem. 2011 Jul 4;19(15):4635–4643. doi: 10.1016/j.bmc.2011.06.012

Table 2.

Structure, logP and Ki values for enzyme inhibition for alkyl 1,2-diones.

graphic file with name nihms306689u1.jpg
ID Name R clogP Ki (nM)
hCE1 hiCE rCE hAChE hBChE
8 Butane-2,3-dione CH3 −0.47 >100,000 >100,000 >100,000 >100,000 >100,000
9 Hexane 3,4-dione C2H5 0.75 >100,000 >100,000 >100,000 >100,000 >100,000
10 Octane-4,5-dione C3H7 1.89 8,060 ± 330 4,670 ± 260 17,780 ± 1,290 >100,000 >100,000
11 Decane-5,6-dione C4H9 2.92 46.6 ± 9.3 189 ± 15 944 ± 75 >100,000 >100,000
12 Dodecane-6,7-dione C5H11 3.94 3.0 ± 0.4 57.7 ± 2.2 38.6 ± 1.6 >100,000 >100,000
13 Tetradecane-7,8-dione C6H13 4.89 4.8 ± 0.3 76.4 ± 9.4 15.1 ± 0.9 >100,000 >100,000
14 Hexadecane-8,9-dione C7H15 5.68 7.6 ± 1.6 25.6 ± 2.3 6.5 ± 1.9 >100,000 >100,000
15 Octadecane-9,10-dione C8H17 6.03 0.84 ± 0.28 5.7 ± 1.4 9.0 ± 3.8 >100,000 >100,000
16 1,2-Dicyclohexylethane-1,2-dione Cyc. C6H11 3.93a 5.0 ± 0.7a 72 ± 7.0a 27 ± 7.7 >100,000 >100,000
a

Data taken from Hyatt et al [20].