Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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224,000+ research products · Triple ISO certified · COA & SDS available for every product · Same-day shipping on in-stock items
Why this grade
Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview
BAY-545 is a potent and selective A2B adenosine receptor antagonist, with an IC50 of 59 nM. BAY-545 also exhibits IC50s of 66, 400, 280 nM for human, mouse, rat A2B adenosine receptor in cells, respectively, and a Ki of 97 nM for human A2B adenosine receptor, with more selectivity over A1, A2A, and A3 adenosine receptor.
Specifications
Synonyms
BAY545;compound 8
Specifications & Purity
Moligand™, ≥98%
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
ANTAGONIST
Mechanism of action
Antagonist of A 2B receptor
Purity
≥98%
Names and Identifiers
| Pubchem Sid | 528763386 |
|---|---|
| Canonical Smiles | CCN1C(=O)C2=C(N(C1=O)CCC(F)(F)F)SC(=C2C)C(=O)N3CCC(CC3)O |
| IUPAC Name | 3-ethyl-6-(4-hydroxypiperidine-1-carbonyl)-5-methyl-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-dione |
| InChIKey | NTYVAKNEYLJAPT-UHFFFAOYSA-N |
| 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 |
| Isomeric SMILES | CCN1C(=O)C2=C(N(C1=O)CCC(F)(F)F)SC(=C2C)C(=O)N3CCC(CC3)O |
| PubChem CID | 118016229 |
| Molecular Weight | 433.45 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
- Class Thienopyrimidines
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Thienopyrimidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thienopyrimidines |
| Alternative Parents | N-acylpiperidines Thiophene carboxamides Pyrimidones N-acyl ureas Vinylogous thioesters N-acyl amines Hydropyrimidines Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Dicarboximides Thioenol ethers Secondary alcohols Lactams Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thienopyrimidine - N-acyl-piperidine - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - Ureide - Pyrimidone - N-acyl urea - Vinylogous thioester - Pyrimidine - Piperidine - N-acyl-amine - 1,2,3,4-tetrahydropyrimidine - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Thiophene - Tertiary carboxylic acid amide - Dicarboximide - Urea - Thioenolether - Secondary alcohol - Carbonic acid derivative - Lactam - Carboxamide group - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | Not available |
3D Structure
Interactive Chemical Structure Model
Associated Targets(Human)
ADORA2B Tclin Adenosine receptor A2b (2 Activities)
ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)
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ADORA1 Tclin Adenosine A1 receptor (17603 Activities)
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ADORA2A Tclin Adenosine A2a receptor (16305 Activities)
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ADORA2B Tclin Adenosine A2b receptor (7672 Activities)
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ADORA3 Tchem Adenosine A3 receptor (15931 Activities)
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CYP2C8 Tchem Cytochrome P450 2C8 (1492 Activities)
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GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)
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CSNK1D Tchem Casein kinase I delta (4546 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
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CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)
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NR1I2 Tchem Pregnane X receptor (6667 Activities)
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CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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U2OS (164939 Activities)
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BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)
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TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)
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BRPF1 Tchem Peregrin (2217 Activities)
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Associated Targets(non-human)
Mapk1 MAP kinase ERK2 (650 Activities)
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Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)
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Mus musculus (284745 Activities)
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Mechanisms of Action
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2423174 | Certificate of Analysis | Apr 19, 2024 | B607946 |
| G2423188 | Certificate of Analysis | Apr 19, 2024 | B607946 |
| G2423189 | Certificate of Analysis | Apr 19, 2024 | B607946 |
| G2423191 | Certificate of Analysis | Apr 19, 2024 | B607946 |
| G2423192 | Certificate of Analysis | Apr 19, 2024 | B607946 |
| G2423194 | Certificate of Analysis | Apr 19, 2024 | B607946 |
| G2423195 | Certificate of Analysis | Apr 19, 2024 | B607946 |
| G2423197 | Certificate of Analysis | Apr 19, 2024 | B607946 |
Chemical and Physical Properties
| Molecular Weight | 433.400 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 433.128 Da |
| Monoisotopic Mass | 433.128 Da |
| Topological Polar Surface Area | 109.000 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 669.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
Reviews
Customer Reviews
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