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Chemical structure of ASK1-IN-2

GC62426

ASK1-IN-2

Also known as 6-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide

ASK1-IN-2 is a potent and orally active inhibitor of apoptosis signal-regulating kinase 1 (ASK1), with an IC50 of 32·8 nM

ChemicalCAS2541792-70-3MW364.38FormulaC19H17FN6O
CAS number
2541792-70-3
Molecular weight
364.38
Formula
C19H17FN6O
Solubility
DMSO : 250 mg/mL (686·10 mM; Need ultrasonic)
InChIKey
LYUQNMNUBOUCBX-UHFFFAOYSA-N
Catalogue number
GC62426
Brand
GLPBIO
Computed properties PubChem CID 155671000 · XLogP 2.5 · TPSA 88.5 Ų · H-bond donors 2
XLogP
2.5
TPSA
88.5 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
27

SMILES CC(C)N1C=NN=C1C2=NC(=CC=C2)NC(=O)C3=CC4=C(N3)C=C(C=C4)F

Computed descriptors from PubChem (CID 155671000), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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