ChemicalBook CAS DataBase List 2055602-83-8

2055602-83-8

Name	BAY-1797
CAS	2055602-83-8
Molecular Formula	C20H17ClN2O4S
Molecular Weight	416.88
MOL File	2055602-83-8.mol

Chemical Properties

density	1.414±0.06 g/cm3(Predicted)
storage temp.	-20°C
solubility	Soluble in DMSO (>25 mg/ml)
form	solid
pka	9.84±0.60(Predicted)
color	Pale brown
Stability:	Stable for 2 years as supplied. Solutions in DMSO may be stored at -20°C for up to 3 months.
InChIKey	CSJYMAFXYMYNCK-UHFFFAOYSA-N
SMILES	ClC1=CC=CC(OC2=C(C=C(NC(CC3=CC=CC=C3)=O)C=C2)S(=O)(N)=O)=C1

Safety Data

WGK Germany	WGK 3
Storage Class	11 - Combustible Solids

Hazard Information

Description

BAY-1797 (2055602-83-8) is a selective P2X4 receptor antagonist (IC50 = 211 nM HEK cellular assay; P2X4 calcium influx based assays – hIC50 = 108 nM, mIC50 = 112 nM, rIC50 = 233 nM).1 Displayed antinociceptive and anti-inflammatory effects in mouse CFA inflammatory pain models.

Uses

BAY-1797 is a potent, orally active, and selective P2X4 antagonist, with an IC50 of 211 nM against human P2X4. BAY-1797 displays no or very weak activity on the other P2X ion channels. BAY-1797 shows anti-nociceptive and anti-inflammatory effects[1].

in vivo

BAY-1797 (12.5-50 mg/kg; p.o.) shows a significant induction of PGE2 levels in the inflamed paw in the mouse Complete Freund’s Adjuvant (CFA) inflammatory pain model^[1].
? BAY-1797 (50 mg/kg; once daily for multiple p.o. administrations) induces a significant reduction of the ipsilateral paw load 24 and 48 h after CFA injection^[1].
? BAY-1797 treatment shows the AUC_norm, V_ss and t_1/2 are 1.06 kg h/L, 3.67 L/kg and 2.64 hours, respectively^[1].

Animal Model:	Female adult C57BL/6N mice (CFA inflammatory pain model)^[1]
Dosage:	12.5, 25, 50 mg/kg
Administration:	p.o.; once
Result:	Dose-dependently reduced PGE2 concentration in inflamed paw.

Animal Model:	Rat male Wistar^[1]
Dosage:	1 mg/kg
Administration:	i.v. (Pharmacokinetic Analysis)
Result:	The AUC_norm, V_ss and t_1/2 were 1.06 kg h/L, 3.67 L/kg and 2.64 hours, respectively.

IC 50

P2X4 Receptor

storage

Store at -20°C

References

Werner et al. (2019) Discovery and Characterization of the Potent and Selective P2X4 Inhibitor N-[4-(3-Chlorophenoxy)-3-sulfamoylphenyl]-2-phenylacetamide (BAY-1797) and Structure-Guided Amelioration of Its CYP3A4 Induction Profile; J. Med. Chem. 62 11194

Spectrum Detail

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