BAY-545

Name: BAY-545
Brand: MedChemExpress
SKU: HY-111767
Rating: 4.5 (1 reviews)

Cat. No.: HY-111767 Purity: 98.18%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

BAY-545 is a potent and selective A_2B adenosine receptor antagonist, with an IC₅₀ of 59 nM. BAY-545 also exhibits IC₅₀s of 66, 400, 280 nM for human, mouse, rat A_2B adenosine receptor in cells, respectively, and a K_i of 97 nM for human A_2B adenosine receptor, with more selectivity over A₁, A_2A, and A₃ adenosine receptor.

For research use only. We do not sell to patients.

BAY-545 Chemical Structure

CAS No. : 1699717-32-2

Size	Price	Stock	Quantity
Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	USD 385	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	USD 385	In-stock	Estimated Time of Arrival: December 31
Solid
1 mg	USD 166	In-stock	Estimated Time of Arrival: December 31
5 mg	USD 350	In-stock	Estimated Time of Arrival: December 31
10 mg	USD 525	In-stock	Estimated Time of Arrival: December 31
25 mg	USD 940	In-stock	Estimated Time of Arrival: December 31
50 mg	USD 1354	In-stock	Estimated Time of Arrival: December 31
100 mg	USD 1950	In-stock	Estimated Time of Arrival: December 31
200 mg		Get quote
500 mg		Get quote

or Bulk Inquiry

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Customer Review

Based on 1 publication(s) in Google Scholar

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View All Adenosine Receptor Isoform Specific Products:

View All Isoforms

Adenosine A₁ receptor (A₁R) Adenosine A_2A receptor (A_2AR) Adenosine A_2B receptor (A_2BR) Adenosine A₃ receptor (A₃R)

Biological Activity
Purity & Documentation
References
Customer Review

Description

IC₅₀ & Target

IC50: 59 nM (A_2B adenosine receptor), 66 nM (Human A_2B adenosine receptor), 400 nM (Mouse A_2B adenosine receptor), 280 nM (Rat A_2B adenosine receptor), 1300 nM (Human A₁ adenosine receptor), 820 nM (Human A_2A adenosine receptor), 470 nM (Mouse A_2A adenosine receptor) and 750 nM (Rat A_2A adenosine receptor)^[1]
Ki: 97 nM (A_2B adenosine receptor)^[1]

Cellular Effect

Cell Line	Type	Value	Description	References
CHO	IC₅₀	> 6700 x 10^-9 mol/L Compound: 8; BAY-545	Antagonist activity at recombinant human A3 adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay Antagonist activity at recombinant human A3 adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay	[PMID: 30576906]
CHO	IC₅₀	> 6700 x 10^-9 mol/L Compound: 8; BAY-545	Antagonist activity at recombinant mouse A1 adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay Antagonist activity at recombinant mouse A1 adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay	[PMID: 30576906]
CHO	IC₅₀	> 6700 x 10^-9 mol/L Compound: 8; BAY-545	Antagonist activity at recombinant mouse A3 adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay Antagonist activity at recombinant mouse A3 adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay	[PMID: 30576906]
CHO	IC₅₀	1300 x 10^-9 mol/L Compound: 8; BAY-545	Antagonist activity at recombinant human A1 adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay Antagonist activity at recombinant human A1 adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay	[PMID: 30576906]
CHO	IC₅₀	280 x 10^-9 mol/L Compound: 8; BAY-545	Antagonist activity at recombinant rat A2B adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay Antagonist activity at recombinant rat A2B adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay	[PMID: 30576906]
CHO	IC₅₀	400 x 10^-9 mol/L Compound: 8; BAY-545	Antagonist activity at recombinant mouse A2B adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay Antagonist activity at recombinant mouse A2B adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay	[PMID: 30576906]
CHO	IC₅₀	470 x 10^-9 mol/L Compound: 8; BAY-545	Antagonist activity at recombinant mouse A2A adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay Antagonist activity at recombinant mouse A2A adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay	[PMID: 30576906]
CHO	IC₅₀	66 x 10^-9 mol/L Compound: 8; BAY-545	Antagonist activity at recombinant human A2B adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay Antagonist activity at recombinant human A2B adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay	[PMID: 30576906]
CHO	IC₅₀	750 x 10^-9 mol/L Compound: 8; BAY-545	Antagonist activity at recombinant rat A2A adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay Antagonist activity at recombinant rat A2A adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay	[PMID: 30576906]
CHO	IC₅₀	820 x 10^-9 mol/L Compound: 8; BAY-545	Antagonist activity at recombinant human A2A adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay Antagonist activity at recombinant human A2A adenosine receptor expressed in CHO cells after 3 to 4 hrs by luciferase reporter gene assay	[PMID: 30576906]
HEK293	IC₅₀	59 nM Compound: 8; BAY-545	Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay Displacement of [3H]DPCPX from human A2B adenosine receptor expressed in HEK293 cell membranes after 60 mins by radioligand displacement assay	[PMID: 30576906]

In Vitro

BAY-545 is selective at A_2B adenosine receptor over A₁, A_2A, and A₃ adenosine receptor, with IC₅₀s of 1300 nM (Human A₁ adenosine receptor), 820 nM (Human A_2A adenosine receptor), 470 nM (Mouse A_2A adenosine receptor) and 750 nM (Rat A_2A adenosine receptor)^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Molecular Weight

433.45

Formula

C₁₈H₂₂F₃N₃O₄S

CAS No.

1699717-32-2

Appearance

Solid

Color

White to off-white

SMILES

CCN1C(N(CCC(F)(F)F)C2=C(C(C)=C(C(N3CCC(O)CC3)=O)S2)C1=O)=O

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	2 years
	-20°C	1 year

Solvent & Solubility

In Vitro:

DMSO : ≥ 150 mg/mL (346.06 mM; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

*"≥" means soluble, but saturation unknown.

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	2.3071 mL	11.5354 mL	23.0707 mL
5 mM	0.4614 mL	2.3071 mL	4.6141 mL
10 mM	0.2307 mL	1.1535 mL	2.3071 mL

View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.

Molarity Calculator
Dilution Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for in vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 2.5 mg/mL (5.77 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Protocol 2

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.5 mg/mL (5.77 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
Protocol 3

Add each solvent one by one: 10% DMSO 90% Corn Oil
Solubility: ≥ 2.5 mg/mL (5.77 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

Dosing volume
(per animal)

μL

Number of animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

DMSO +

Tween-80 +

Saline

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.

The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Calculation results:

Working solution concentration: mg/mL

Method for preparing stock solution: mg drug dissolved in μL DMSO (Stock solution concentration: mg/mL).

The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).

Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.

If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.

Purity & Documentation

Purity: 98.18%

Select Batch:

Data Sheet (276 KB) SDS (254 KB)

COA (253 KB) HNMR (149 KB) RP-HPLC (163 KB) LCMS (257 KB)

Handling Instructions (2659 KB)

References

[1]. Härter M, et al. Novel non-xanthine antagonist of the A2B adenosine receptor: From HTS hit to lead structure. Eur J Med Chem. 2019 Feb 1;163:763-778. [Content Brief]

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg

DMSO	1 mM	2.3071 mL	11.5354 mL	23.0707 mL	57.6768 mL
	5 mM	0.4614 mL	2.3071 mL	4.6141 mL	11.5354 mL
	10 mM	0.2307 mL	1.1535 mL	2.3071 mL	5.7677 mL
	15 mM	0.1538 mL	0.7690 mL	1.5380 mL	3.8451 mL
	20 mM	0.1154 mL	0.5768 mL	1.1535 mL	2.8838 mL
	25 mM	0.0923 mL	0.4614 mL	0.9228 mL	2.3071 mL
	30 mM	0.0769 mL	0.3845 mL	0.7690 mL	1.9226 mL
	40 mM	0.0577 mL	0.2884 mL	0.5768 mL	1.4419 mL
	50 mM	0.0461 mL	0.2307 mL	0.4614 mL	1.1535 mL
	60 mM	0.0385 mL	0.1923 mL	0.3845 mL	0.9613 mL
	80 mM	0.0288 mL	0.1442 mL	0.2884 mL	0.7210 mL
	100 mM	0.0231 mL	0.1154 mL	0.2307 mL	0.5768 mL

BAY-545 Related Classifications

Inflammation/Immunology

Help & FAQs

Do most proteins show cross-species activity?
Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

Keywords:

BAY-5451699717-32-2BAY545BAY 545Adenosine ReceptorP1 receptorInhibitorinhibitorinhibit

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BAY-545

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Complete Stock Solution Preparation Table

BAY-545 Related Classifications

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