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Selonsertib

CAT: 1410-M11920-07Size: 500 mgDry Ice: NoHazardous: No
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CAT#:1410-M11920-07Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Selonsertib (GS-4997) is a highly selective and potent, ATP-competetive inhibitor of ASK1 (Apoptosis Signal-regulating Kinase 1, MAP3K5) with potential anti-inflammatory, antineoplastic and anti-fibrotic activities; orally bioavailable.
CAS Number
1448428-04-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
445.4921
Molecular Formula
C24H24FN7O
Notes
Research use only, not for human use.
Receptor
ASK1

Chemical Information

Selonsertib

Selonsertib is under investigation in clinical trial NCT03053050 (Safety and Efficacy of Selonsertib in Adults With Nonalcoholic Steatohepatitis (NASH) and Bridging (F3) Fibrosis).

CAS Number1448428-04-3
PubChem CID71245288
IUPAC Name5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
Molecular FormulaC24H24FN7O
Molecular Weight445.5
XLogP2.7
Topological Polar Surface Area90.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity692
SMILES
CC1=CC(=C(C=C1N2C=C(N=C2)C3CC3)C(=O)NC4=CC=CC(=N4)C5=NN=CN5C(C)C)F
InChI
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)
InChIKey
YIDDLAAKOYYGJG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Selonsertib
CAS: 1448428-04-3
CID: 71245288
Formula: C24H24FN7O
MW: 445.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight445.5
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass445.20263658
Monoisotopic Mass445.20263658
Topological Polar Surface Area90.5 Ų
Heavy Atom Count33
Formal Charge0
Complexity692
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

Alternative Products

CatalogName
MBS384790-01Selonsertib
A15991-50Selonsertib 50mg
GW0805-10mgSelonsertib Hydrochloride
A15991-100Selonsertib 100mg
A15991-10Selonsertib 10mg
MBS5813162Selonsertib HCl
HY-18938ASelonsertib (hydrochloride)
A15991-500Selonsertib 500mg
A15991-1Selonsertib 1mg

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