ChemicalBook--->CAS DataBase List--->2245072-20-0

2245072-20-0

2245072-20-0 Structure

2245072-20-0 Structure
IdentificationBack Directory
[Name]

LIT-001 free base
[CAS]

2245072-20-0
[Synonyms]

LIT-001 free base
1-Pyrrolidinecarboxamide, N-[[4-[(4,10-dihydro-1-methylpyrazolo[3,4-b][1,5]benzodiazepin-5(1H)-yl)carbonyl]-2-methylphenyl]methyl]-2-[(dimethylamino)thioxomethyl]-, (2S)-
[Molecular Formula]

C28H33N7O2S
[MDL Number]

MFCD33029220
[MOL File]

2245072-20-0.mol
[Molecular Weight]

531.67
Chemical PropertiesBack Directory
[density ]

1.33±0.1 g/cm3(Predicted)
[pka]

13.35±0.40(Predicted)
Hazard InformationBack Directory
[Description]

LIT-001 is the first potent nonpeptide agonist of oxytocin receptor (OT-R).
[Uses]

LIT-001 free base is the first nonpeptide oxytocin receptor (OT-R) agonist (EC50=55 nM; Ki=226 nM). LIT-001 free base improves social interaction in a mouse model of autism[1].
[in vivo]

LIT-001 free base (10-20 mg/kg; i.p.) alleviates core symptoms in the context of autism spectrum disorders (ASD )[1].

Animal Model:Oprm1–/– mice (bred in house on a 50% 129SVPas–50% C57BL/6J hybrid background)[1]
Dosage:10, 20 mg/kg
Administration:i.p.
Result:Alleviated core symptoms in the context of ASD.
[References]

[1] Frantz MC, et al. LIT-001, the First Nonpeptide Oxytocin Receptor Agonist that Improves Social Interaction in a Mouse Model of Autism. J Med Chem. 2018 Oct 11;61(19):8670-8692. DOI:10.1021/acs.jmedchem.8b00697
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