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Chemical structure of ASK1-IN-1

GC19041

ASK1-IN-1

Also known as 4-(4-cyclopropylimidazol-1-yl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide

ASK1-IN-1 is a potent, orally available and selective ATP-competitive inhibitor of apoptosis signal-regulating kinase 1 (ASK1) with an IC50 of 2·87 nM

ChemicalCAS1262041-49-5MW411.46FormulaC23H21N7O
CAS number
1262041-49-5
Molecular weight
411.46
Formula
C23H21N7O
Solubility
DMSO ： 15·5 mg/mL (37·67 mM)
InChIKey
ZGCMQKWOUIMBEP-UHFFFAOYSA-N
Catalogue number
GC19041
Brand
GLPBIO
Computed properties PubChem CID 57504987 · XLogP 2 · TPSA 90.5 Ų · H-bond donors 1
XLogP
2
TPSA
90.5 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
31

SMILES C1CC1C2=CN(C=N2)C3=CC(=NC=C3)C(=O)NC4=CC=CC(=C4)C5=NN=CN5C6CC6

Computed descriptors from PubChem (CID 57504987), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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