BTRX-335140

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MedKoo CAT#: 555429

CAS#: 2244614-14-8

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.


Price and Availability

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Pricing updated 2020-04-07. Prices are subject to change without notice.

BTRX-335140 is not in stock, may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 555429
Name: BTRX-335140
CAS#: 2244614-14-8
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


Technical Data

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


Additional Information

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.


References

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.