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ChemicalBook--->CAS DataBase List--->1314796-00-3

1314796-00-3

1314796-00-3 Structure

1314796-00-3 Structure
IdentificationBack Directory
[Name]

(S)-2-(4-(1,8-Naphthyridin-2-yl)phenyl)-N-(1-(4’-fluoro-3’-(trifluoromethyl)-[1,1’-biphenyl]-4-yl)ethyl)acetamide
[CAS]

1314796-00-3
[Synonyms]

hGPR91 antagonist 1
Inhibitor,inhibit,hGPR91 antagonist 1,hGPR-91 antagonist 1
(S)-2-(4-(1,8-Naphthyridin-2-yl)phenyl)-N-(1-(4’-fluoro-3’-(trifluoromethyl)-[1,1’-biphenyl]-4-yl)ethyl)acetamide
[Molecular Formula]

C31H23F4N3O
[MDL Number]

MFCD31811561
[MOL File]

1314796-00-3.mol
[Molecular Weight]

529.53
Chemical PropertiesBack Directory
[Melting point ]

198-200 °C
[Boiling point ]

708.6±60.0 °C(Predicted)
[density ]

1.286±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

Soluble in DMSO
[form ]

Solid
[pka]

14.74±0.46(Predicted)
[color ]

White to off-white
Hazard InformationBack Directory
[Description]

HGPR91 antagonist 1 is a potent and selective small molecule hGPR91 antagonist with an IC50 of 7 μM[1]. IC50: 7 μM (HGPR91)[1]

HGPR91 antagonist 1 leads to 59, 76% inhibition of δMAP at 2, 4 hours and has shown rat plasma protein binding 99%. HGPR91 antagonist 1 has engaged the target under the in vivo condition. HGPR91 antagonist 1 has clearance (CL) of 0.2 nmol/min/mg of RLM[1]. Animal Model: Wistar rats[1]

[storage]

Store at -20°C
[References]

[1]. Bhuniya D, et al. Discovery of a potent and selective small molecule hGPR91 antagonist. Bioorg Med Chem Lett. 2011 Jun 15;21(12):3596-602.

Spectrum DetailBack Directory
[Spectrum Detail]

(S)-2-(4-(1,8-Naphthyridin-2-yl)phenyl)-N-(1-(4’-fluoro-3’-(trifluoromethyl)-[1,1’-biphenyl]-4-yl)ethyl)acetamide(1314796-00-3)1HNMR
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