| Identification | Back Directory | [Name]
BAY 2416964 | [CAS]
2242464-44-2 | [Synonyms]
AHR antagonist 3
BAY 2416964 USP/EP/BP
6-(4-chlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
(S)-6-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)-2-(1-methyl-1H-pyrazol-4-yl)-3-oxo-2,3-dihydropyridazine-4-carboxamide
4-Pyridazinecarboxamide, 6-(4-chlorophenyl)-2,3-dihydro-N-[(1S)-2-hydroxy-1-methylethyl]-2-(1-methyl-1H-pyrazol-4-yl)-3-oxo- | [Molecular Formula]
C18H18ClN5O3 | [MDL Number]
MFCD32693912 | [MOL File]
2242464-44-2.mol | [Molecular Weight]
387.82 |
| Questions And Answer | Back Directory | [Use]
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. | [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]
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.
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| Chemical Properties | Back Directory | [density ]
1.42±0.1 g/cm3(Predicted) | [solubility ]
DMSO:64.0(Max Conc. mg/mL);165.02(Max Conc. mM) | [form ]
Solid | [pka]
11.81±0.20(Predicted) | [color ]
Light yellow to green yellow | [InChI]
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 | [InChIKey]
YAGSZKAJPHGVOV-NSHDSACASA-N | [SMILES]
C1(=O)N(C2=CN(C)N=C2)N=C(C2=CC=C(Cl)C=C2)C=C1C(N[C@@H](C)CO)=O |
| Hazard Information | Back Directory | [Uses]
BAY 2416964 is a potent and orally active aryl hydrocarbon receptor (AHR) antagonist extracted from patent WO2018146010A1, example 192, has an IC50 of 341 nM. BAY 2416964 has the potential for solid tumors treatment[1]. | [References]
[1] Ilona GUTCHER, et al. 2-heteroaryl-3-oxo-2,3-dihydropyridazine-4-carboxamides for the treatment of cancer. WO2018146010A1 |
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