BAY 2416964 Chemical Properties

Density 

1.42±0.1 g/cm3(Predicted)

solubility 

DMSO:64.0(Max Conc. mg/mL);165.02(Max Conc. mM)

pka

11.81±0.20(Predicted)

form 

Solid

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

BAY 2416964 Usage And Synthesis

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.

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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