This is simply a product of compound interest.
The results showed that the hydrolysis product of compound 2 had moderate cytotoxic activity against lung cancer cell lines DMS273 [log GI50 = 5.19 (6.4 μM ] and DMS114 [log GI50 = 5.06 (8.7 μM ].
To investigate whether P2 or P3 originate from such a process we synthesised compound 17, the expected β-oxidation end product of compound 15 (Additional file 5A).
Four enzymes were thus tested: Burkholderia (formerly Pseudomonas) cepacia lipase (BCL), Candida rugosa lipase, lipase from Pseudomonas fluorescens, and Candida antarctica lipase B. Of these, BCL provided the best diastereoselectivity, giving one major product of compound 11B.
These observations suggested that they are lactam ring-opened product of compound 7. Compounds 8 and 9 were identified as 2-[[(E -2- 2-aminothiazol-4-yl -2-[ 2-methoxy-2-oxoethoxy)imino]acE -2- 2-aminothiazol-4-yl -2-[ 2-methoxy-2-oxoethoxyahydro-4H-furo[3,4-d][1,3]thiazin-2-yl]acE -2- 2-aminothiazol-4-yl -2-[ 2-methoxy-2-oxoethoxy
A series of tetrahydroisoquinolines were designed, synthesized and evaluated as the first non-natural product type of compounds with dual D1 receptor (D1R) agonism and D2 receptor (D2R) antagonism properties for treatment of schizophrenia.
Based on the obtained exact molecular masses, chemical formulae for protonated molecular ions and product ions of compounds 1– 5 are summarized in Table 1 together with calculated mass numbers.
To identify the metabolic products of compound 10, we analysed them by high resolution mass-spectrometry.
In order to investigated whether the observed modification products of compound 10, namely P1, which according to the previous results represents compound 15, and the two unknown compounds P2 and P3, are potent to inhibit ASKs, we purified the products by solid phase extraction and two fractionations by HPLC.
A straightforward way is to represent each compound-protein pair by taking the tensor product of the compound fingerprint and the protein fingerprint, which enables biological interpretation of chemogenomic features (functional associations between compound substructures and protein domains) behind interacting compound-protein pairs [ 8].
