Cas No.: | 2244614-14-8 |
Chemical Name: | BTRX-335140 |
Synonyms: | XK5ILZ28KI;GTPL10452;BTRX335140;CYM53093;compound 58 [PMID: 30707578];4-Piperidinamine, 1-(6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-quinolinyl)-N-(tetrahydro-2H-pyran-4-yl)-;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;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)pipe;Unii-XK5ilz28KI;BTRX-335140;Navacaprant;NMRA-335140;SCHEMBL20670520;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5- yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;navacaprant [INN];BTRX-140;1-[6-Ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-quinolinyl]-N-(tetrahydro-2H-pyran-4-yl)-4-piperidinamine;NMRA335140;DA-51462;BDBM50531908;NAVACAPRANT [USAN];BCP32121;4-Piperidinamine, 1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-quinolinyl]-N-(tetrahydro-2H-pyran-4-yl)-;BTRX335140?;HY-124754;UNII-XK5ILZ28KI;BTRX 335140; BTRX335140; CYM-53093; CYM 53093; CYM53093;2244614-14-8;Navacaprant (USAN/INN);GLXC-20653;MS-28252;NMRA-140;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;AKOS040741488;BTRX-335140(CYM-53093;F82370;EX-A5654;CYM-53093;CS-0087593;D12869;CHEMBL4592045;DTXSID401104655;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 |
SMILES: | FC1=CC(CC)=CC2=C1N=C(C(C1=NC(C)=NO1)=C2C)N1CCC(CC1)NC1CCOCC1 |
Formula: | C25H32FN5O2 |
M.Wt: | 453.552289009094 |
Purity: | >98% |
Sotrage: | 2 years -20°C Powder, 2 weeks 4°C in DMSO, 6 months -80°C in DMSO |
Description: | BTRX-335140 (CYM-53093) is a potent and selective, orally active κ opioid receptor (KOR) antagonist, has antagonist activity for κOR, μOR and δOR with IC50 values of 0.8 nM, 110 nM, and 6500 nM, respectively.BTRX-335140 endows with favorable in vitro ADMET and in vivo pharmacokinetic profiles and medication-like duration of action in rats. BTRX-335140 can distribute well into the CNS. ADMET (absorption, distribution, metabolism, excretion, and toxicity) [1]. |
Target: | IC50: 0.8 nM (κOR); 110 nM (μOR); 6500 nM (δOR)[1] |
References: | [1]. Guerrero M, et al. Design and Synthesis of a Novel and Selective Kappa Opioid Receptor (KOR) Antagonist (BTRX-335140). J Med Chem. 2019 Feb 28;62(4):1761-1780. |