≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Information
BAY-218 BAY-218 is a potent and selective small-molecule AhR inhibitor, inhibiting AhR nuclear translocation, dioxin response element (DRE)-luciferase reporter expression and AhR-regulated target gene expression induced by both exogenous and endogenous AhR ligands.
Targets
AhR
In vitro
Mechanistically, BAY-218 inhibits AhR nuclear translocation, dioxin response element (DRE)-luciferase reporter expression and AhR-regulated target gene expression induced by both exogenous and endogenous AhR ligands. BAY-218 rescues TNFα production from kynurenic acid(KA)-suppressed LPS-treated primary human monocytes.
In vivo
BAY-218 enhances anti-tumoral immune responses and reduced tumor growth in the syngeneic mouse tumor models CT26 and B16-OVA. Furthermore, BAY-218 enhances therapeutic efficacy of an anti-PD-L1 antibody in the CT26 model.
| ALogP | 3.106 |
|---|---|
| hba_count | 3 |
| Recuento HBD | 2 |
| Enlace rotable | 5 |
| Pubchem Sid | 504773106 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504773106 |
| Sonrisas canónicas | CC(CO)NC(=O)C1=CC(=NN(C1=O)C2=CC(=CC=C2)F)C3=CC=C(C=C3)Cl |
| IUPAC Name | 6-(4-chlorophenyl)-2-(3-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-3-oxopyridazine-4-carboxamide |
| InChIKey | RFGRNBWAUZSMBN-LBPRGKRZSA-N |
| INCHI | 1S/C20H17ClFN3O3/c1-12(11-26)23-19(27)17-10-18(13-5-7-14(21)8-6-13)24-25(20(17)28)16-4-2-3-15(22)9-16/h2-10,12,26H,11H2,1H3,(H,23,27)/t12-/m0/s1 |
| Peso molecular | 401.82 |
| Reaxy-Rn | 32188986 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32188986&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Diazines |
| Subclass | Pyridazines and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyridazines |
| Alternative Parents | Fluorobenzenes Chlorobenzenes N-acyl amines Vinylogous amides Heteroaromatic compounds Lactams Vinyl fluorides Vinyl chlorides Fluoroalkenes Chloroalkenes Carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alcohols and polyols |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpyridazine - Halobenzene - Fluorobenzene - Chlorobenzene - Benzenoid - N-acyl-amine - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Lactam - Carboxamide group - Azacycle - Fluoroalkene - Chloroalkene - Haloalkene - Vinyl halide - Vinyl fluoride - Vinyl chloride - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Alcohol - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylpyridazines. These are organic compounds containing a pyridazine ring substituted by a phenyl group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 K2218159 | Certificate of Analysis | Sep 04, 2025 | B414214 |
| K2218164 | Certificate of Analysis | Sep 04, 2025 | B414214 |
| K2218179 | Certificate of Analysis | Sep 04, 2025 | B414214 |
| K2218185 | Certificate of Analysis | Sep 04, 2025 | B414214 |
| K2218215 | Certificate of Analysis | Sep 04, 2025 | B414214 |
| Solubilidad | Solubility (25°C) In vitro DMSO: 80 mg/mL (199.09 mM); Ethanol: 20 mg/mL (49.77 mM); Water: Insoluble; |
|---|---|
| DMSO (mg/ml) Solubilidad máxima | 80 |
| DMSO (mM) Solubilidad máxima | 199.094121746055 |
| Agua (mg/ml) Solubilidad máxima | ＜1 |
| Peso molecular | 401.800 g/mol |
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 401.094 Da |
| Monoisotopic Mass | 401.094 Da |
| Topological Polar Surface Area | 82.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 661.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
