ChemicalBook CAS DataBase List 1931994-81-8

1931994-81-8

Name	2-Pyridinecarboxamide, N-[6-(1-hydroxy-1-methylethyl)-2-[2-(methylsulfonyl)ethyl]-2H-indazol-5-yl]-6-(trifluoromethyl)-
CAS	1931994-81-8
Molecular Formula	C20H21F3N4O4S
MDL Number	MFCD32900903
Molecular Weight	470.47
MOL File	1931994-81-8.mol

Chemical Properties

Boiling point	620.7±55.0 °C(Predicted)
density	1.44±0.1 g/cm3(Predicted)
storage temp.	Store at -20°C
solubility	DMSO : 125 mg/mL (265.69 mM; ultrasonic and warming and heat to 60°C)
form	Solid
pka	11.53±0.43(Predicted)
color	White to off-white

Hazard Information

Uses

Zabedosertib (BAY 1834845) is a selective, orally active IRAK4 inhibitor with immunomodulatory potential, IC50 is 3.55 nM. IRAK4 is a protein kinase involved in signaling innate immune responses from Toll-like receptors[1]. Zabedosertib exhibits anti-inflammatory property against IL-β, LPS (HY-D1056) and Imiquimod (HY-B1080) induced inflammation[2].

in vivo

Zabedosertib (150 mg/kg, p.o., twice) prevents lung injury and reduces inflammation in LPS induced ARDS in BALB/c mice^[2].
Zabedosertib inhibits IL-β(p.o., 40-80 mg/kg, once), LPS (p.o., 10-40 mg/kg, once) and Imiquimod (p.o., 15-150 mg/kg, twice daily for 7 days) induced inflammation^[3].
Zabedosertib has a Pharmacokinetic profile in rats^[3]:
Pharmacokinetic Analysis of Zabedosertib in rats^[1]

species	Dose_iv (mg/kg)	AUC_norm,iv (kg·h/L)	CL_blood (L/h/kg)	V_ss (L/kg)	T_1/2,iv (h)	Dose_po(mg/kg)	AUC_norm,po (kg·h/L))	C_max,norm (kg/L)	T_max (h)	F (%)
rat	0.5	5.6	0.24	0.92	4.2	2.0	5.3	0.55	4.0	94
dog	0.5	15	0.088	1.6	17	1.0	15	0.57	2.0	104

Animal Model:	LPS induced ARDS in BLAB/c mice^[2]
Dosage:	150 mg/kg
Administration:	p.o., twice (30 min before and 6 h after LPS-injection or 4 h and 12 h after LPS-injection)
Result:	Decreased inflammatory cells infiltration. Combination of Zabedosertib and DEX ( HY-14648) decreased T-cells, monocytes and macrophages.

Animal Model:	BALB/c mice^[3]
Dosage:	IL-β:40-80 mg/kg, LPS: 10-40 mg/kg, Imiquimod: 15-150 mg/kg
Administration:	oral gavage, IL-β: once, LPS: once, Imiquimod: twice daily for 7 days
Result:	Inhibited IL-β, LPS induced inflammation in a dose-dependent manner. Inhibited Imiquimod induced inflammation.

IC 50

IRAK4: 3.55 nM (IC₅₀)

storage

Store at -20°C

References

[1] Bothe, Ulrich; Siebenreicher, Holger; Schmidt, Nicole; Nubbemeyer, Reinhard; Boemer, Ulf; Guenther, Judith; Steuber, Holger; Lange, Martin; Stegmann, Christian; Sutter, Andreas; et al.New substituted indazoles, methods for the production thereof, pharmaceutical preparations that contain said new substituted indazoles, and use of said new substituted indazoles to produce drugs.WO2016083433A1
[2] Li Q, et al., Oral IRAK4 inhibitor BAY-1834845 prevents acute respiratory distress syndrome. Biomed Pharmacother. 2022 Sep;153:113459. DOI:10.1016/j.biopha.2022.113459
[3] Bothe U, et al., Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839. J Med Chem. 2024 Jan 25;67(2):1225-1242. DOI:10.1021/acs.jmedchem.3c01714

Spectrum Detail

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