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Safety Information

SML3597

Sigma-Aldrich

ARUK3001185

≥98% (HPLC)

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Synonym(s):
1-[2,4-Dichloro-3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole
Empirical Formula (Hill Notation):
C9H4Cl2F3N3
CAS Number:
Molecular Weight:
282.05
UNSPSC Code:
12352200
NACRES:
NA.21

Quality Level

Assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

-10 to -25°C

SMILES string

ClC1=C(C(Cl)=CC=C1N2C=CN=N2)C(F)(F)F

Biochem/physiol Actions

ARUK3001185 is a brain-penetrant, orally available, potent and selective carboxylesterase Notum inhibitor (IC50 = 6.7 nM) and Wnt signaling activator with no cross-reactivity toward panels of 39 serine hydrolases, 485 kinases (IC50 >10 μM), and 47 human off-target liabilities (IC50 >30 μM).

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

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Design of a Potent, Selective, and Brain-Penetrant Inhibitor of Wnt-Deactivating Enzyme Notum by Optimization of a Crystallographic Fragment Hit
Journal of medicinal chemistry, 65(10), 7212-7230 (2022)
Carboxylesterase Notum Is a Druggable Target to Modulate Wnt Signaling
Journal of Medicinal Chemistry, 64(8), 4289-4311 (2021)
Small-molecule inhibitors of carboxylesterase Notum
Future medicinal chemistry, 13(11), 1001-1015 (2021)

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