WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 555429
Description: BTRX-335140, also known as CYM-53093, a potent and selective KOR antagonist with IC50 (KOR)=0.8 nM. BTRX-335140 endowed with favorable in vitro ADMET and in vivo pharmacokinetic profiles and medication-like duration of action in rat pharmacodynamic experiments. Orally administered CYM-53093 showed robust efficacy in antagonizing KOR agonist-induced prolactin secretion and in tail-flick analgesia in mice. CYM-53093 exhibited a broad selectivity over a panel of off-target proteins.
MedKoo Cat#: 555429
Chemical Formula: C25H32FN5O2
Exact Mass: 453.254
Molecular Weight: 453.5624
Elemental Analysis: C, 66.20; H, 7.11; F, 4.19; N, 15.44; O, 7.05
Synonym: BTRX-335140; BTRX 335140; BTRX335140; CYM-53093; CYM 53093; CYM53093;
IUPAC/Chemical Name: 1-(6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl)-N-(tetrahydro-2H-pyran-4-yl)piperidin-4 amine
InChi Key: CQOJHAJWCDJEAT-UHFFFAOYSA-N
InChi Code: InChI=1S/C25H32FN5O2/c1-4-17-13-20-15(2)22(25-27-16(3)30-33-25)24(29-23(20)21(26)14-17)31-9-5-18(6-10-31)28-19-7-11-32-12-8-19/h13-14,18-19,28H,4-12H2,1-3H3
SMILES Code: CC1=NOC(C2=C(C)C3=CC(CC)=CC(F)=C3N=C2N4CCC(NC5CCOCC5)CC4)=N1
κ opioid receptor (KOR) antagonists are potential pharmacotherapies for the treatment of migraine and stressrelated mood disorders including depression, anxiety, and drug abuse, thus the development of novel KOR antagonists with an improved potency/selectivity profile and medication-like duration of action has attracted the interest of the medicinal chemistry community.
This compound is in Phase 1 clinical trials for the treatment of neuropsychiatric disorders wherein dynorphin is thought to contribute to the underlying pathophysiology.
1: Guerrero M, Urbano M, Kim EK, Gamo Albero AM, Riley S, Abgaryan L, Leaf N, Van
Orden LJ, Brown SJ, Xie J, Porreca F, Cameron MD, Rosen H, Roberts E. Design and
Synthesis of a Novel and Selective Kappa Opioid Receptor (KOR) Antagonist
(BTRX-335140). J Med Chem. 2019 Feb 1. doi: 10.1021/acs.jmedchem.8b01679. [Epub
ahead of print] PubMed PMID: 30707578.