| Identification | Back Directory | [Name]
1H-1,2,3-Triazole, 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]- | [CAS]
2411969-39-4 | [Synonyms]
ARUK3001185
1H-1,2,3-Triazole, 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]- | [Molecular Formula]
C9H4Cl2F3N3 | [MOL File]
2411969-39-4.mol | [Molecular Weight]
282.05 |
| Chemical Properties | Back Directory | [Boiling point ]
359.6±52.0 °C(Predicted) | [density ]
1.62±0.1 g/cm3(Predicted) | [storage temp. ]
-10 to -25°C | [solubility ]
DMSO: 5 mg/ml | [form ]
A crystalline solid | [pka]
-0.96±0.70(Predicted) | [color ]
Off-white to pink | [InChI]
1S/C9H4Cl2F3N3/c10-5-1-2-6(17-4-3-15-16-17)8(11)7(5)9(12,13)14/h1-4H | [InChIKey]
XVFXHCLMGYJAQI-UHFFFAOYSA-N | [SMILES]
ClC1=C(C(Cl)=CC=C1N2C=CN=N2)C(F)(F)F |
| Hazard Information | Back Directory | [Description]
ARUK3001185 is an inhibitor of palmitoleoyl-protein carboxylesterase NOTUM (IC50 = 6.7 nM), an enzyme involved in the deacylation of Wnt.1 It is selective for NOTUM over a panel of 39 serine hydrolases and 485 kinases, including casein kinase 1 (CK1) and glycogen synthase kinase 3 (GSK3), at 10 μM and a panel of 47 receptors, ion channels, transporters, and enzymes at 30 μM, but does inhibit the serotonin (5-HT) receptor subtype 5-HT3A, α4β2 subunit-containing nicotinic acetylcholine receptors (nAChRs), and monoamine oxidase A (MAO-A; IC50s = 4.5, 10, and 28 μM, respectively). ARUK3001185 prevents NOTUM-induced decreases in Wnt3a signaling in a cell-based reporter assay (EC50 = 110 nM). | [Uses]
ARUK3001185 (Compound 8l) is a potent, selective, orally active and brain-penetrant inhibitor of Notum activity with an IC50 of 6.7 nM[1]. | [References]
1. Willis, N.J., Mahy, W., Sipthorp, J., et al. Design of a potent, selective, and brain-penetrant inhibitor of Wnt-deactivating enzyme notum by optimization of a crystallographic fragment hit J. Med. Chem. 65(10),7212-7230(2122). |
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| Company Name: |
Merck KGaA
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| Tel: |
21-20338288 |
| Website: |
www.sigmaaldrich.cn |
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