MedKoo Cat#: 555647 | Name: BAY-545
Featured New

Description:

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

BAY-545 is a potent and selective antagonist of the A2B adenosine receptor.

Chemical Structure

BAY-545
BAY-545
CAS#1699717-32-2

Theoretical Analysis

MedKoo Cat#: 555647

Name: BAY-545

CAS#: 1699717-32-2

Chemical Formula: C18H22F3N3O4S

Exact Mass: 433.1283

Molecular Weight: 433.45

Elemental Analysis: C, 49.88; H, 5.12; F, 13.15; N, 9.69; O, 14.76; S, 7.40

Price and Availability

Size Price Availability Quantity
50mg USD 750.00 2 Weeks
100mg USD 1,250.00 2 Weeks
200mg USD 1,950.00 2 Weeks
500mg USD 2,950.00 2 Weeks
1g USD 4,250.00 2 Weeks
2g USD 6,950.00 2 Weeks
Show More
Bulk Inquiry
Buy Now
Add to Cart
Related CAS #
No Data
Synonym
BAY-545; BAY 545; BAY545;
IUPAC/Chemical Name
Thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione, 3-ethyl-6-[(4-hydroxy-1-piperidinyl)carbonyl]-5-methyl-1-(3,3,3-trifluoropropyl)-
InChi Key
NTYVAKNEYLJAPT-UHFFFAOYSA-N
InChi Code
InChI=1S/C18H22F3N3O4S/c1-3-23-14(26)12-10(2)13(15(27)22-7-4-11(25)5-8-22)29-16(12)24(17(23)28)9-6-18(19,20)21/h11,25H,3-9H2,1-2H3
SMILES Code
O=C1N(CCC(F)(F)F)C2=C(C(C)=C(C(N3CCC(O)CC3)=O)S2)C(N1CC)=O
Appearance
Solid powder
Purity
>97% (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
Product Data
Biological target:
BAY-545 is an A2B adenosine receptor antagonist with an IC50 of 59 nM.
In vitro activity:
BAY-545 inhibited the release of pro-inflammatory IL-6 from human fibroblasts in vitro. Reference: Eur J Med Chem. 2019 Feb 1;163:763-778. https://www.sciencedirect.com/science/article/abs/pii/S0223523418310043?via%3Dihub
In vivo activity:
Orally administered BAY-545 was efficacious in mouse models of lung fibrosis in vivo. Reference: Eur J Med Chem. 2019 Feb 1;163:763-778. https://www.sciencedirect.com/science/article/abs/pii/S0223523418310043?via%3Dihub
Solvent mg/mL mM
Solubility
DMSO 129.0 297.61
Ethanol 87.0 200.72
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 433.45 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.

Recalculate based on batch purity %
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. Härter M, Kalthof B, Delbeck M, Lustig K, Gerisch M, Schulz S, Kast R, Meibom D, Lindner N. 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. doi: 10.1016/j.ejmech.2018.11.045. Epub 2018 Nov 20. PMID: 30576906.
In vitro protocol:
1. Härter M, Kalthof B, Delbeck M, Lustig K, Gerisch M, Schulz S, Kast R, Meibom D, Lindner N. 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. doi: 10.1016/j.ejmech.2018.11.045. Epub 2018 Nov 20. PMID: 30576906.
In vivo protocol:
1. Härter M, Kalthof B, Delbeck M, Lustig K, Gerisch M, Schulz S, Kast R, Meibom D, Lindner N. 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. doi: 10.1016/j.ejmech.2018.11.045. Epub 2018 Nov 20. PMID: 30576906.
1: Härter M, Kalthof B, Delbeck M, Lustig K, Gerisch M, Schulz S, Kast R, Meibom D, Lindner N. Novel non-xanthine antagonist of the A(2B) adenosine receptor: From HTS hit to lead structure. Eur J Med Chem. 2019 Feb 1;163:763-778. doi: 10.1016/j.ejmech.2018.11.045. Epub 2018 Nov 20. PubMed PMID: 30576906.