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Development of a simple proton nuclear magnetic resonance-based procedure to estimate the approximate distribution coefficient at physiological pH (logD7.4): Evaluation and comparison to existing practices

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  1. Improved radiosynthesis and preliminary in vivo evaluation of the 11C-labeled tetrazine [11C]AE-1 for pretargeted PET imaging

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  2. Labeling and preliminary in vivo evaluation of the 5-HT(7) receptor selective agonist [(11)C]E-55888

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  3. (11)C-labeling and preliminary evaluation of pimavanserin as a 5-HT2A receptor PET-radioligand

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  4. (11)C-labeling and preliminary evaluation of vortioxetine as a PET radioligand

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  5. Synthesis, in vitro and in vivo evaluation of [11C]MMTP: a potential PET ligand for mGluR1 receptors

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  1. Hot and Cold Cognitive Disturbances in Parkinson Patients Treated with DBS-STN: A Combined PET and Neuropsychological Study

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  2. Systemic DNA and RNA damage from oxidation after serotonergic treatment of unipolar depression

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  3. Emotional faces processing in major depressive disorder and prediction of antidepressant treatment response: A NeuroPharm study

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  4. PET-BIDS, an extension to the brain imaging data structure for positron emission tomography

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  5. Acute sleep deprivation upregulates serotonin 2A receptors in the frontal cortex of mice via the immediate early gene Egr3

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In drug discovery, lipophilicity is a key parameter for drug optimization. Lipophilicity determinations can be both work and time consuming, especially for non-UV active compounds. Herein, an improved and simple 1H NMR-based method is described to estimate the lipophilicity at physiological pH (logD7.4) in 1-octanol and D2O buffer. The method can be applied to both UV and non-UV active compounds. In addition, neither calibration curves nor internal/external standards are needed. We have demonstrated that logD7.4 can be accurately measured using 1H NMR for compounds within the logD7.4 interval between 0.7 and 3.3. The method was also compared to a previously described HPLC method.

Original languageEnglish
JournalBioorganic and Medicinal Chemistry Letters
Volume27
Issue number2
Pages (from-to)319-322
Number of pages4
ISSN0960-894X
DOIs
Publication statusPublished - 15 Jan 2017

ID: 49876851