ChemicalBook CAS DataBase List 1314796-00-3

1314796-00-3

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
Molecular Formula	C31H23F4N3O
MDL Number	MFCD31811561
Molecular Weight	529.53
MOL File	1314796-00-3.mol

Chemical Properties

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 Information

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]

Uses

hGPR91 antagonist 1 (Compound 4c) is a potent and selective GPR91 antagonist with an IC50 of 7 nM for human GPR91[1].

in vivo

HGPR91 antagonist 1 (Compound 4c) 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]
Dosage:	100 mg/kg
Administration:	I.p.; 2 and 4 hours
Result:	Led to 59 and 76% inhibition of ΔMAP at 2 and 4 hours.

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 Detail

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