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Target nature : Oxytocin receptor
CAS n° : 2245072-21-1
Mecanism of action : First, and still only, non peptide oxytocin receptor full agonist
Physico-chemical properties : exp LogP = 2.2 ; solubility (water) = 5 microM
Probe availability : 10 to 20 mg available (powder)
Princeps reference : LIT-001, the First Nonpeptide Oxytocin Receptor Agonist that Improves Social Interaction in a Mouse Model of Autism. Frantz MC, Pellissier LP, Pflimlin E, Loison S, Gandía J, Marsol C, Durroux T, Mouillac B, Becker JAJ, Le Merrer J, Valencia C, Villa P, Bonnet D, Hibert M. J Med Chem. 2018 Oct 11;61(19):8670-8692. doi: 10.1021/acs.jmedchem.8b00697. Epub 2018 Sep 24. PMID: 30199637
More bibliography : A Nonpeptide Oxytocin Receptor Agonist for a Durable Relief of Inflammatory Pain. Hilfiger L, Zhao Q, Kerspern D, Inquimbert P, Andry V, Goumon Y, Darbon P, Hibert M, Charlet A. Sci Rep. 2020 Feb 20;10(1):3017. doi: 10.1038/s41598-020-59929-w. PMID: 32080303 Male-selective effects of oxytocin agonism on alcohol intake: behavioral assessment in socially housed prairie voles and involvement of RAGE. Potretzke S, Zhang Y, Li J, Fecteau KM, Erikson DW, Hibert M, Ryabinin AE. Neuropsychopharmacology. 2023 May;48(6):920-928. doi: 10.1038/s41386-022-01490-3. Epub 2022 Nov 11. PMID: 36369481
Other available information on the probe : Agonism at V2 vasopressin receptor only known off-target effect
Other information on the target : Important therapeutic target for many diseases : autism, alcohol addiction, neuropathic pain, social anxiety, ...
Selectivity profile : Specific and non toxic compound (Eurofins safetyScreen, cell toxicity) with exception on V2 vasopressin receptor (theoretical antidiuretic effect).
In vivo data : Fully restores social interaction in animal models of autism (see publication)
In vitro data : OT receptor (function) : IC5O = 48 nM V2 receptor : IC50 = 50 nM
Toxicity : No cell toxicity (PCBIS Illkirch). No off-target effect on Eurofins SafetyScreen including Herg at a 5 micromolar concentration.
Chaine SMILES : Cc4cc(C(=O)N3Cc1cnn(C)c1Nc2ccccc23)ccc4CNC(=S)N5CCC[C@H]5C(=O)N(C)C
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