| Identification | Back Directory | [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 | [Synonyms]
ASK1-IN-2
6-fluoro-N-(6-(4-isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl)-1H-indole-2-carboxamide
1H-Indole-2-carboxamide, 6-fluoro-N-[6-[4-(1-methylethyl)-4H-1,2,4-triazol-3-yl]-2-pyridinyl]-
colitis,ulcerative,signal-regulating,ASK1 IN 2,ASK1IN2,inhibit,MAP kinase kinase kinase, MEKK, MAPKKK,Apoptosis,ASK1,Inhibitor,ASK-1-IN-2,MAP3K | [Molecular Formula]
C19H17FN6O | [MDL Number]
MFCD33548891 | [MOL File]
2541792-70-3.mol | [Molecular Weight]
364.38 |
| Chemical Properties | Back Directory | [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 | Back Directory | [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 (T1/2=1.45 h) in rats[1].
ASK1-IN-2 (10 mg/kg; p.o.) shows high oral exposure (AUClast=4517 h?ng/mL), 62.2% oral bioavailability and acceptable terminal half-life (T1/2=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.
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| 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; T1/2=1.45 h.
P.o.: AUClast=4517 h?ng/mL; F=62.2%; T1/2=2.31 h.
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| [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 |
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https://www.bocsci.com |
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