Effects of polar κ receptor agonists designed for the periphery on ATP-induced Ca2+release from keratinocytes

MedChemComm
2015.0

Abstract

In order to obtain polar κ agonists, which cannot pass the blood brain barrier, the secondary amines 3a and 3b were reductively alkylated with pyridine-3-carbaldehyde to give the pyridylmethyl substituted perhydroquinoxalines 5a and 5b, respectively. Both 5a and 5b show very high κ-opioid receptor affinity with Ki values of 0.13 nM and 3.8 nM, respectively. Moreover they are very selective for the κ receptor. In the [35S]GTPγS assay both quinoxalines reached full agonistic activity. With an EC50 value of 34 nM 5a is only slightly less potent than the prototypical κ agonist U-69,593. For the determination of the logD values a shake-flask method was developed making use of quantification by mass spectrometry which requires only very small amounts of compound (<0.8 mg). According to this method the logD7.4 and logD5.4 values of 5a were 1.1 and -0.45 indicating very high polarity. The logD5.4 value was recorded due the acidic milieu of the skin. The perhydroquinoxalines 3 - 5 reduced the release of Ca2+ ions into the cytoplasm after stimulation of HaCaT cells with ATP and thereby proved biological activity in human skin cells.

Knowledge Graph

Similar Paper

Effects of polar κ receptor agonists designed for the periphery on ATP-induced Ca<sup>2+</sup>release from keratinocytes
MedChemComm 2015.0
Synthesis and Pharmacological Evaluation of 5-Pyrrolidinylquinoxalines as a Novel Class of Peripherally Restricted κ-Opioid Receptor Agonists
Journal of Medicinal Chemistry 2014.0
Design and Synthesis of Enantiomerically Pure Decahydroquinoxalines as Potent and Selective κ-Opioid Receptor Agonists with Anti-Inflammatory Activityin Vivo
Journal of Medicinal Chemistry 2017.0
Combination of cyclohexane and piperazine based κ-opioid receptor agonists: Synthesis and pharmacological evaluation of trans,trans-configured perhydroquinoxalines
Bioorganic &amp; Medicinal Chemistry 2014.0
Synthesis and pharmacological evaluation of conformationally restricted κ-opioid receptor agonists
MedChemComm 2016.0
Conformationally restricted κ-opioid receptor agonists: Synthesis and pharmacological evaluation of diastereoisomeric and enantiomeric decahydroquinoxalines
Bioorganic &amp; Medicinal Chemistry Letters 2015.0
Development of Novel Quinoxaline-Based κ-Opioid Receptor Agonists for the Treatment of Neuroinflammation
Journal of Medicinal Chemistry 2019.0
Novel and Highly Potent 5-HT<sub>3</sub> Receptor Agonists Based on a Pyrroloquinoxaline Structure
Journal of Medicinal Chemistry 1997.0
Synthesis and Pharmacology of a Novel κ Opioid Receptor (KOR) Agonist with a 1,3,5-Trioxazatriquinane Skeleton
ACS Medicinal Chemistry Letters 2014.0
3-Aryl pyridone derivatives. Potent and selective kappa opioid receptor agonists
Bioorganic &amp; Medicinal Chemistry Letters 2002.0