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Selonsertib (GS-4997)

CAT: 1568-C13322-01Size: 5 mgDry Ice: YesHazardous: No
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CAT#:1568-C13322-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1448428-04-3
SKU
C13322-5mg
Target
ASK
Applications
Apoptosis
Smiles
CC1=CC (=C (C=C1N2C=C (N=C2) C3CC3) C (=O) NC4=CC=CC (=N4) C5=NN=CN5C (C) C) F
Molecular Formula
C24H24FN7O
Additionnal Information
Selonsertib (GS-4997) is a highly selective and potent once-daily oral ASK1 inhibitor with potential anti-inflammatory, antineoplastic and anti-fibrotic activities.
Storage Conditions
2 years -80 in solvent

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

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