BAY-1797 | CAS#2055602-83-8 | P2X4 receptor antagonist

MedKoo Cat#: 555698 | Name: BAY-1797

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Description:

WARNING: This product is for research use only, not for human or veterinary use.

BAY-1797 is an antagonist of the purinergic P2X4 receptor (IC50 = 0.211 µM for the human receptor). It is selective for P2X4 over P2X1, P2X3, and P2X7 receptors (IC50s = >50, 8.3, and 10.6 µM, respectively, for the human receptors), as well as a panel of G protein-coupled receptors (GPCRs), ion channels, kinases, and transporters at 10 µM. BAY-1797 (50 mg/kg) decreases intraplantar prostaglandin E2 (PGE2) levels and reduces non-evoked pain-related behavior in the dynamic weight bearing test in a mouse model of inflammatory pain induced by complete Freund’s adjuvant (CFA).

Chemical Structure

BAY-1797

CAS#2055602-83-8

Theoretical Analysis

MedKoo Cat#: 555698

Name: BAY-1797

CAS#: 2055602-83-8

Chemical Formula: C20H17ClN2O4S

Exact Mass: 416.0598

Molecular Weight: 416.88

Elemental Analysis: C, 57.62; H, 4.11; Cl, 8.50; N, 6.72; O, 15.35; S, 7.69

Price and Availability

Size	Price	Availability
5mg	USD 300.00	2 Weeks
10mg	USD 550.00	2 Weeks
25mg	USD 950.00	2 Weeks

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Related CAS #

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Synonym

BAY-1797; BAY 1797; BAY1797;

IUPAC/Chemical Name

N‑[4-(3-Chlorophenoxy)-3-sulfamoylphenyl]-2-phenylacetamide

InChi Key

CSJYMAFXYMYNCK-UHFFFAOYSA-N

InChi Code

InChI=1S/C20H17ClN2O4S/c21-15-7-4-8-17(12-15)27-18-10-9-16(13-19(18)28(22,25)26)23-20(24)11-14-5-2-1-3-6-14/h1-10,12-13H,11H2,(H,23,24)(H2,22,25,26)

SMILES Code

O=C(NC1=CC=C(OC2=CC=CC(Cl)=C2)C(S(=O)(N)=O)=C1)CC3=CC=CC=C3

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO

Shelf Life

>3 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

The P2X4 receptor is a ligand-gated ion channel that is expressed on a variety of cell types, especially those involved in inflammatory and immune processes. High-throughput screening led to a new class of P2X4 inhibitors with substantial CYP 3A4 induction in human hepatocytes. A structure-guided optimization with respect to decreased pregnane X receptor (PXR) binding was started. It was found that the introduction of larger and more polar substituents on the ether linker led to less PXR binding while maintaining the P2X4 inhibitory potency.

Product Data

Product Data

Instruction

View handling instruction

Biological target:

BAY-1797 is a P2X4 antagonist with an IC50 of 211 nM.

In vitro activity:

TBD

In vivo activity:

BAY-1797 demonstrated anti-inflammatory and anti-nociceptive effects in a mouse complete Freund's adjuvant (CFA) inflammatory pain model. Reference: J Med Chem. 2019 Dec 26;62(24):11194-11217. https://pubs.acs.org/doi/abs/10.1021/acs.jmedchem.9b01304

	Solvent	mg/mL	mM
Solubility
	DMF	30.0	71.96
	DMSO	30.0	71.96
	Ethanol	30.0	71.96

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 416.88 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

Formulation protocol:

1. Werner S, Mesch S, Hillig RC, Ter Laak A, Klint J, Neagoe I, Laux-Biehlmann A, Dahllöf H, Bräuer N, Puetter V, Nubbemeyer R, Schulz S, Bairlein M, Zollner TM, Steinmeyer A. 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. 2019 Dec 26;62(24):11194-11217. doi: 10.1021/acs.jmedchem.9b01304. Epub 2019 Dec 11. PMID: 31746599.

In vitro protocol:

TBD

In vivo protocol:

1: Werner S, Mesch S, Hillig RC, Ter Laak A, Klint J, Neagoe I, Laux-Biehlmann A, Dahllöf H, Bräuer N, Puetter V, Nubbemeyer R, Schulz S, Bairlein M, Zollner TM, Steinmeyer A. 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. 2019 Dec 26;62(24):11194-11217. doi: 10.1021/acs.jmedchem.9b01304. Epub 2019 Dec 11. PMID: 31746599.