Information
BAY 2416964 BAY 2416964 (compound 192) is a potent and orally active antagonist of aryl hydrocarbon receptor (AhR) with IC50 of 341 nM. BAY 2416964 has the potential in the treatment of solid tumors.
Targets
AhR (Cell-free assay) 341 nM
In vitro
BAY 2416964 (Example 192) induces AHR-regulated gene CYP1A1 expression with IC50 of 4.30 nM in a human monocytic U937 cells.
In vivo
In vivo assays: BAY 2416964 (Example 192) is dissolved in Ethanol/Solutol/Water (10/40/50) and given at 30 mg/kg, QD, p.o.. The efficacy is calculated based on tumor volume. BAY 2416964 (Example 192) is shown to have the potential for solid tumour treatment.
Cell Research(from reference)
Cell lines：human monocytic U937 cell line
Concentrations：3.1 nmol/L, 11 nmol/L, 38 nmol/L, 130 nmol/L, 470 nmol/L, 1.6 pmol/L, 5.7 pmol/L and 20 pmol/L
Incubation Time：20 h
| ALogP | 1.55 |
|---|---|
| hba_count | 4 |
| Recuento HBD | 2 |
| Enlace rotable | 5 |
| Sonrisas canónicas | CC(CO)NC(=O)C1=CC(=NN(C1=O)C2=CN(N=C2)C)C3=CC=C(C=C3)Cl |
|---|---|
| IUPAC Name | 6-(4-chlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide |
| InChIKey | YAGSZKAJPHGVOV-NSHDSACASA-N |
| INCHI | 1S/C18H18ClN5O3/c1-11(10-25)21-17(26)15-7-16(12-3-5-13(19)6-4-12)22-24(18(15)27)14-8-20-23(2)9-14/h3-9,11,25H,10H2,1-2H3,(H,21,26)/t11-/m0/s1 |
| Peso molecular | 387.82 |
| Reaxy-Rn | 37833734 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37833734&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 | Chlorobenzenes N-acyl amines Vinylogous amides Heteroaromatic compounds Azoles Lactams Vinyl chlorides Hydrazones Chloroalkenes Carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alcohols and polyols |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpyridazine - Halobenzene - Chlorobenzene - Benzenoid - N-acyl-amine - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Azole - Lactam - Carboxamide group - Azacycle - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Hydrazone - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - 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 |
|---|---|---|---|
 E2422014 | Certificate of Analysis | Apr 29, 2026 | B422695 |
| DMSO (mg/ml) Solubilidad máxima | 78 |
|---|---|
| DMSO (mM) Solubilidad máxima | 201.124232891548 |
| Agua (mg/ml) Solubilidad máxima | ＜1 |
| Peso molecular | 387.800 g/mol |
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 387.11 Da |
| Monoisotopic Mass | 387.11 Da |
| Topological Polar Surface Area | 99.800 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 645.000 |
| 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 |
