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GS-444217 - 98%, high purity , CAS No.1262041-49-5, Inhibitor of mitogen-activated protein kinase kinase kinase 5
Basic Description Synonyms GS444217；GS 444217；ASK1-IN-1 Specifications & Purity 98% Storage Temp Store at -20°C Shipped In Ice chest + Ice pads Grade Moligand™ Action Type INHIBITOR Mechanism of action Inhibitor of mitogen-activated protein kinase kinase kinase 5 Product Description Information
GS-444217 GS-444217 (ASK1-IN-1) is a potent, selective, orally available and ATP-competitive inhibitor of ASK1 (apoptosis signal-regulating kinase 1) with IC50 of 2.87 nM.
Targets
ASK1 (Cell-free assay) 2.87 nM
Product Properties ALogP 2.587 HBD Count 1 Rotatable Bond 6
Names and Identifiers IUPAC Name 4-(4-cyclopropylimidazol-1-yl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide INCHI InChI=1S/C23H21N7O/c31-23(20-11-19(8-9-24-20)29-12-21(25-13-29)15-4-5-15)27-17-3-1-2-16(10-17)22-28-26-14-30(22)18-6-7-18/h1-3,8-15,18H,4-7H2,(H,27,31) InChi Key ZGCMQKWOUIMBEP-UHFFFAOYSA-N Canonical SMILES C1CC1C2=CN(C=N2)C3=CC(=NC=C3)C(=O)NC4=CC=CC(=C4)C5=NN=CN5C6CC6 Isomeric SMILES C1CC1C2=CN(C=N2)C3=CC(=NC=C3)C(=O)NC4=CC=CC(=C4)C5=NN=CN5C6CC6 PubChem CID 57504987 MeSH Entry Terms 4-(4-cyclopropyl-1H-imidazol-1-yl)-N-(3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl)picolinamide;4-(4-cyclopropylimidazol-1-yl)-N-(3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl)pyridine-2-carboxamide;Ask1-IN-1;GS-444217 Molecular Weight 411.46
Chemical and Physical Properties Solubility Solubility (25°C) In vitro DMSO: 60 mg/mL (145.82 mM); Water: Insoluble; Ethanol: Insoluble; DMSO(mg / mL) Max Solubility 60 DMSO(mM) Max Solubility 145.822194137948 Water(mg / mL) Max Solubility ＜1
Safety and Hazards(GHS) Pictogram(s) GHS07 Signal Warning Hazard Statements H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
Precautionary Statements P261: Avoid breathing dust/fume/gas/mist/vapors/spray.
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing.
References 1. Tesch GH, Ma FY, Han Y, Liles JT, Breckenridge DG, Nikolic-Paterson DJ. (2015) ASK1 Inhibitor Halts Progression of Diabetic Nephropathy in Nos3-Deficient Mice.. Diabetes, 64 (11): (3903-13). [PMID:26180085 ] 2. Budas GR, Boehm M, Kojonazarov B, Viswanathan G, Tian X, Veeroju S, Novoyatleva T, Grimminger F, Hinojosa-Kirschenbaum F, Ghofrani HA et al. . (2018) ASK1 Inhibition Halts Disease Progression in Preclinical Models of Pulmonary Arterial Hypertension.. Am J Respir Crit Care Med, 197 (3): (373-385). [PMID:28910144 ]
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