MedKoo Cat#: 555429 | Name: BTRX-335140
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

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.

Chemical Structure

BTRX-335140
BTRX-335140
CAS#2244614-14-8

Theoretical Analysis

MedKoo Cat#: 555429

Name: BTRX-335140

CAS#: 2244614-14-8

Chemical Formula: C25H32FN5O2

Exact Mass: 453.2540

Molecular Weight: 453.56

Elemental Analysis: C, 66.20; H, 7.11; F, 4.19; N, 15.44; O, 7.05

Price and Availability

Size Price Availability Quantity
5mg USD 350.00 2 Weeks
10mg USD 625.00 2 Weeks
25mg USD 1,150.00 2 Weeks
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Synonym
BTRX-335140; BTRX 335140; BTRX335140; CYM-53093; CYM 53093; CYM53093; Navacaprant
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
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
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.

Preparing Stock Solutions

The following data is based on the product molecular weight 453.56 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
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.