WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 206450
CAS#: 1448428-04-3 (free base)
Description: Selonsertib, also known as GS-4997, is an orally bioavailable inhibitor of apoptosis signal-regulating kinase 1 (ASK1), with potential anti-inflammatory, antineoplastic and anti-fibrotic activities. GS-4997 targets and binds to the catalytic kinase domain of ASK1 in an ATP-competitive manner, thereby preventing its phosphorylation and activation. GS-4997 prevents the production of inflammatory cytokines, down-regulates the expression of genes involved in fibrosis, suppresses excessive apoptosis and inhibits cellular proliferation.
MedKoo Cat#: 206450
Name: Selonsertib free base
CAS#: 1448428-04-3 (free base)
Chemical Formula: C24H24FN7O
Exact Mass: 445.20264
Molecular Weight: 445.5
Elemental Analysis: C, 64.71; H, 5.43; F, 4.26; N, 22.01; O, 3.59
Selonsertib free base, purity > 98%, is in stock. The same day shipping out after order is received.
Related CAS #: 1448428-04-3 (free base) 1448428-05-4 (HCl)
Synonym: GS-4997; GS4997; GS 4997; Selonsertib free base.
IUPAC/Chemical Name: 5-(4-cyclopropyl-1H-imidazol-1-yl)-2-fluoro-N-(6-(4-isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl)-4-methylbenzamide
InChi Key: YIDDLAAKOYYGJG-UHFFFAOYSA-N
InChi Code: InChI=1S/C24H24FN7O/c1-14(2)32-13-27-30-23(32)19-5-4-6-22(28-19)29-24(33)17-10-21(15(3)9-18(17)25)31-11-20(26-12-31)16-7-8-16/h4-6,9-14,16H,7-8H2,1-3H3,(H,28,29,33)
SMILES Code: O=C(NC1=NC(C2=NN=CN2C(C)C)=CC=C1)C3=CC(N4C=C(C5CC5)N=C4)=C(C)C=C3F
The following data is based on the product molecular weight 445.5 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
---|---|---|---|
1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
1: Ji N, Yang Y, Cai CY, Lei ZN, Wang JQ, Gupta P, Shukla S, Ambudkar SV, Kong D, Chen ZS. Selonsertib (GS-4997), an ASK1 inhibitor, antagonizes multidrug resistance in ABCB1- and ABCG2-overexpressing cancer cells. Cancer Lett. 2019 Jan;440-441:82-93. doi: 10.1016/j.canlet.2018.10.007. Epub 2018 Oct 10. PubMed PMID: 30315846.
2: Nelson CH, Wang L, Fang L, Weng W, Cheng F, Hepner M, Lin J, Garnett C, Ramanathan S. A Quantitative Framework to Evaluate Proarrhythmic Risk in a First-in-Human Study to Support Waiver of a Thorough QT Study. Clin Pharmacol Ther. 2015 Dec;98(6):630-8. doi: 10.1002/cpt.204. Epub 2015 Sep 29. PubMed PMID: 26259519.
3: Lin JH, Zhang JJ, Lin SL, Chertow GM. Design of a phase 2 clinical trial of an ASK1 inhibitor, GS-4997, in patients with diabetic kidney disease. Nephron. 2015;129(1):29-33. doi: 10.1159/000369152. Epub 2014 Dec 17. PubMed PMID: 25531162.