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GS-444217 (Standard)

CAT: 0804-HY-100844RSize: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-100844RSize:1 Each
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Description
GS-444217 (Standard) is the analytical standard of GS-444217. This product is intended for research and analytical applications. GS-444217 is a potent, orally available and selective ATP-competitive inhibitor of apoptosis signal-regulating kinase 1 (ASK1) with an IC50 of 2.87 nM[1].
CAS Number
1262041-49-5
Target
Apoptosis; MAP3K; Reference Standards
Related Pathways
Apoptosis; MAPK/ERK Pathway; Others
Field of Research
Cancer
Smiles
O=C(C1=NC=CC(N2C=C(C3CC3)N=C2)=C1)NC4=CC=CC(C5=NN=CN5C6CC6)=C4
Molecular Formula
C23H21N7O
Molecular Weight
411.46
References & Citations
[1]Liles JT, et al. ASK1 contributes to fibrosis and dysfunction in models of kidney disease. J Clin Invest. 2018 Oct 1;128 (10) :4485-4500.|[2]Budas GR, et al. ASK1 Inhibition Halts Disease Progression in Preclinical Models of Pulmonary Arterial Hypertension. Am J Respir Crit Care Med. 2018 Feb 1;197 (3) :373-385.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

GS-444217
CAS Number1262041-49-5
PubChem CID57504987
IUPAC Name4-(4-cyclopropylimidazol-1-yl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
Molecular FormulaC23H21N7O
Molecular Weight411.5
XLogP2
Topological Polar Surface Area90.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity654
SMILES
C1CC1C2=CN(C=N2)C3=CC(=NC=C3)C(=O)NC4=CC=CC(=C4)C5=NN=CN5C6CC6
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)
InChIKey
ZGCMQKWOUIMBEP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of GS-444217
CAS: 1262041-49-5
CID: 57504987
Formula: C23H21N7O
MW: 411.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight411.5
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass411.18075832
Monoisotopic Mass411.18075832
Topological Polar Surface Area90.5 Ų
Heavy Atom Count31
Formal Charge0
Complexity654
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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