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1174130-61-0

1174130-61-0 Structure

1174130-61-0 Structure
IdentificationBack Directory
[Name]

(S)-4-(4-((2-(3,5-diMethylphenyl)pyrrolidin-1-yl)Methyl)phenoxy)-3-fluorobenzaMide
[CAS]

1174130-61-0
[Synonyms]

CS-2732
LY2456302
Aticaprant
Aticaprant (CERC-501)
CERC-501(LY-2456302,Aticaprant)
LY2456302;LY 2456302;CERC501;CERC 501
(S)-4-(4-((2-(3,5-diMethylphenyl)pyrrolidin-1-yl)Methyl)phenoxy)-3-fluorobenzaMide
4-[4-[[(2S)-2-(3,5-Dimethylphenyl)-1-pyrrolidinyl]methyl]phenoxy]-3-fluorobenzamide
Benzamide, 4-[4-[[(2S)-2-(3,5-dimethylphenyl)-1-pyrrolidinyl]methyl]phenoxy]-3-fluoro-
[Molecular Formula]

C26H27FN2O2
[MDL Number]

MFCD22572355
[MOL File]

1174130-61-0.mol
[Molecular Weight]

418.5
Chemical PropertiesBack Directory
[Boiling point ]

519.2±50.0 °C(Predicted)
[density ]

1.201±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMF: 1 mg/ml; DMSO: 5 mg/ml; Ethanol: 3 mg/ml; PBS (pH 7.2): insol
[form ]

A solid
[pka]

15.61±0.50(Predicted)
[color ]

White to off-white
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Uses]

Aticaprant is a κ-?opioid receptor agonist which may be used in the treatment of neurological diseases and disorders such as Alzheimer''s disease.
[in vivo]

Aticaprant (CERC-501) has a rapid absorption (tmax=1-2 h) and good oral bioavailability (F=25%). Oral Aticaprant (CERC-501) administration selectively and potently occupies central kappa opioid receptors (ED50=0.33 mg/kg), without evidence of mu or delta receptor occupancy. LY2456302 potently blocks kappa-agonist-mediated analgesia and disruption of prepulse inhibition, without affecting mu-agonist-mediated effects at doses >30-fold higher. Aticaprant (CERC-501) produces antidepressant-like effects in the mouse forced swim test and enhances the effects of imipramine and citalopram. Aticaprant (CERC-501) reduces ethanol self-administration in alcohol-preferring rats[1]. Aticaprant (CERC-501) alleviates the nicotine withdrawal syndrome, as evidenced by decreased expression of nicotine withdrawal induced anxiety-related behavior, somatic signs, and CPA, and increased hotplate latency in nicotine withdrawn mice following pre-treatment[2].

[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

(S)-4-(4-((2-(3,5-diMethylphenyl)pyrrolidin-1-yl)Methyl)phenoxy)-3-fluorobenzaMide(1174130-61-0)1HNMR
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