ChemicalBook CAS DataBase List 2541792-70-3

2541792-70-3

Name	1H-Indole-2-carboxamide, 6-fluoro-N-[6-[4-(1-methylethyl)-4H-1,2,4-triazol-3-yl]-2-pyridinyl]-
CAS	2541792-70-3
Molecular Formula	C19H17FN6O
MDL Number	MFCD33548891
Molecular Weight	364.38
MOL File	2541792-70-3.mol

Chemical Properties

density	1.41±0.1 g/cm3(Predicted)
storage temp.	Store at -20°C
solubility	DMSO : 250 mg/mL (686.10 mM; Need ultrasonic)
form	Solid
pka	12.33±0.70(Predicted)
color	White to off-white

Hazard Information

Uses

ASK1-IN-2 is a potent and orally active inhibitor of apoptosis signal-regulating kinase 1 (ASK1), with an IC50 of 32.8 nM. ASK1-IN-2 can be used for the research of ulcerative colitis[1].

in vivo

ASK1-IN-2 (25 mg/kg; p.o. daily for 7 d) improves dextran sulphate sodium (DSS)-induced ulcerative colitis (UC) in mice^[1].
ASK1-IN-2 (25 mg/kg; p.o. daily for 7 d) blocks ASK1-p38/JNK signaling pathways and reduces inflammatory cytokine levels in DSS-induced mouse colon tissues^[1].
ASK1-IN-2 (1 mg/kg; i.v.) shows low clearance (CL=1.38 L/h/kg) and moderate half-life (T_1/2=1.45 h) in rats^[1].
ASK1-IN-2 (10 mg/kg; p.o.) shows high oral exposure (AUC_last=4517 h?ng/mL), 62.2% oral bioavailability and acceptable terminal half-life (T_1/2=2.31 h) in rats^[1].

Animal Model:	Male ICR mice (18-22 g, 6-8 weeks) were given 3% DSS (w/v) orally in drinking water^[1]
Dosage:	25 mg/kg
Administration:	P.o. daily for 7 days
Result:	Induced a significant recovery of body weight loss, with an increase of +11.2%. Decreased the disease activity index (DAI) score about a 2 unit. Significantly prevented colon shortening. Attenuated a severe colonic tissue damage and infiltration of inflammatory cells.

Animal Model:	Male SD rats ^[1]
Dosage:	1 mg/kg for i.v.; 10 mg/kg for p.o. (Pharmacokinetic Analysis)
Administration:	I.v. and p.o. administration
Result:	I.v.: CL=1.38 L/h/kg; T_1/2=1.45 h. P.o.: AUC_last=4517 h?ng/mL; F=62.2%; T_1/2=2.31 h.

IC 50

ASK1: 32.8 nM (IC₅₀)

storage

Store at -20°C

References

[1] Hou S, et, al. Structure-based discovery of 1H-indole-2-carboxamide derivatives as potent ASK1 inhibitors for potential treatment of ulcerative colitis. Eur J Med Chem. 2020 Dec 24;211:113114. DOI:10.1016/j.ejmech.2020.113114

Spectrum Detail

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