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Chemical structure of BTRX-335140

GC39354

BTRX-335140

Also known as 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

BTRX-335140 (CYM-53093) is a selective and 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

ChemicalCAS2244614-14-8MW453.55FormulaC25H32FN5O2
CAS number
2244614-14-8
Molecular weight
453.55
Formula
C25H32FN5O2
Solubility
DMSO： 16·67 mg/mL (36·75 mM)
InChIKey
CQOJHAJWCDJEAT-UHFFFAOYSA-N
Catalogue number
GC39354
Brand
GLPBIO
Computed properties PubChem CID 137434175 · XLogP 4.7 · TPSA 76.3 Ų · H-bond donors 1
XLogP
4.7
TPSA
76.3 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
33

SMILES CCC1=CC2=C(C(=C(N=C2C(=C1)F)N3CCC(CC3)NC4CCOCC4)C5=NC(=NO5)C)C

Computed descriptors from PubChem (CID 137434175), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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