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GSK3179106

CAT: 0804-HY-100459-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-100459-01Size:1 mg
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Description
GSK3179106 is an orally active and selective RET kinase inhibitor with IC50s of 0.4 nM, 0.2 nM for human RET and rat RET, respectively. GSK3179106 has the potential for irritable bowel syndrome (IBS) through the attenuation of post-inflammatory and stress-induced visceral hypersensitivity[1].
CAS Number
1627856-64-7
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
RET
Type
Reference compound
Related Pathways
Protein Tyrosine Kinase/RTK
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/GSK3179106.html
Purity
99.81
Solubility
DMSO : ≥ 100 mg/mL
Smiles
O=C(NC1=NOC(C(C)(C)C(F)(F)F)=C1)CC2=CC=C(C(C(OCC)=C3)=CNC3=O)C=C2F
Molecular Formula
C22H21F4N3O4
Molecular Weight
467.41
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Russell JP, et al. Exploring the Potential of RET Kinase Inhibition for Irritable Bowel Syndrome: A Preclinical Investigation in Rodent Models of Colonic Hypersensitivity. J Pharmacol Exp Ther. 2019 Feb;368 (2) :299-307.|[2]Russell JP, et al. Enteric RET inhibition attenuates gastrointestinal secretion and motility via cholinergic signaling in rat colonic mucosal preparations. Neurogastroenterol Motil. 2019 Apr;31 (4) :e13479.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 1

Chemical Information

Gsk-3179106
CAS Number1627856-64-7
PubChem CID78427026
IUPAC Name2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide
Molecular FormulaC22H21F4N3O4
Molecular Weight467.4
XLogP3.4
Topological Polar Surface Area93.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity812
SMILES
CCOC1=CC(=O)NC=C1C2=CC(=C(C=C2)CC(=O)NC3=NOC(=C3)C(C)(C)C(F)(F)F)F
InChI
InChI=1S/C22H21F4N3O4/c1-4-32-16-9-19(30)27-11-14(16)12-5-6-13(15(23)7-12)8-20(31)28-18-10-17(33-29-18)21(2,3)22(24,25)26/h5-7,9-11H,4,8H2,1-3H3,(H,27,30)(H,28,29,31)
InChIKey
IDXKJSSOUXWLDB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gsk-3179106
CAS: 1627856-64-7
CID: 78427026
Formula: C22H21F4N3O4
MW: 467.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight467.4
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass467.14681881
Monoisotopic Mass467.14681881
Topological Polar Surface Area93.5 Ų
Heavy Atom Count33
Formal Charge0
Complexity812
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
BA9000-5GSK3179106
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A20434-5GSK3179106 5mg
A20434-100GSK3179106 100mg
A20434-50GSK3179106 50mg
A20434-25GSK3179106 25mg
A20434-1GSK3179106 1mg
A20434-10mM-DGSK3179106 10mM * 1mL in DMSO

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