| Identification | Back Directory | [Name]
[4-[3′-(Hydroxymethyl)[1,1′-biphenyl]-4-yl]-1H-1,2,3-triazol-1-yl](2-phenyl-1-piperidinyl)-methanone | [CAS]
1402612-62-7 | [Synonyms]
KT182
KT182 >=98% (HPLC)
[4-[4-[3-(hydroxymethyl)phenyl]phenyl]triazol-1-yl]-(2-phenyl-1-piperidyl)methanone
[4-[3′-(Hydroxymethyl)[1,1′-biphenyl]-4-yl]-1H-1,2,3-triazol-1-yl](2-phenyl-1-piperidinyl)-methanone
Methanone, [4-[3'-(hydroxymethyl)[1,1'-biphenyl]-4-yl]-1H-1,2,3-triazol-1-yl](2-phenyl-1-piperidinyl)- | [Molecular Formula]
C27H26N4O2 | [MDL Number]
MFCD28118914 | [MOL File]
1402612-62-7.mol | [Molecular Weight]
438.52 |
| Chemical Properties | Back Directory | [Boiling point ]
684.3±65.0 °C(Predicted) | [density ]
1.25±0.1 g/cm3(Predicted) | [storage temp. ]
2-8°C | [solubility ]
DMSO: soluble10mg/mL, clear | [form ]
powder | [pka]
14.21±0.10(Predicted) | [color ]
white to beige | [InChIKey]
GICNKPZHUCVFNM-UHFFFAOYSA-N | [SMILES]
O=C(N1N=NC(C2=CC=C(C3=CC=CC(CO)=C3)C=C2)=C1)N4CCCCC4C5=CC=CC=C5 |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
22 | [WGK Germany ]
3 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Aquatic Chronic 4 |
| Hazard Information | Back Directory | [Description]
KT182 is a potent inhibitor of α/β-hydrolase domain-containing protein 6 (ABHD6) with IC50 values of 1.7, 15.1, and 0.24 nM using Neuro2a membrane proteomes, recombinant ABHD6 in HEK293T cells, and Neuro2a cells in situ, respectively. Following administration of KT182 (1 mg/kg, i.p.) in mice, ABHD6 is inactivated in liver and brain extracts, suggesting that it is brain-penetrant, unlike the closely related compound KT203 . | [Uses]
KT182 is a potent and selective inhibitor of α/β-hydrolase domain containing 6 (ABHD6), with an IC50 of 0.24 nM in Neuro2A cells[1]. | [in vitro]
the in-vitro potencies were tested for kt182 and the results found that kt182 could potently inhibit abhd6 as measured by gelbased competitive abpp and 2-ag hydrolysis assays. moreover, the in-situ potencies were measured by treating neuro2a cells with varying concentrations of kt182 for 4 h, and it was found that kt182 could inhibit abhd6 with ic50 values in the subnanomolar range [1]. | [in vivo]
in animal study, mice were treated intraperitoneally with kt182 at various doses (0.1-1 mg/kg) for 4 h, and the results found that kt182 could produce near-complete blockade of abhd6 in the liver at the highest dose tested. moreover, kt182 at lower doses maintained around 80% inhibition of abhd6 in the liver and kt182 at higher doses showed impressive selectivity in the mouse liver, exhibiting little cross-reactivity against the numerous carboxylesterase enzymes. in addition, kt182 could also completely inactivate abhd6 in the mouse brain at 1 mg/kg [1]. | [IC 50]
< 5 nm | [storage]
Store at -20°C | [References]
[1] hsu kl, tsuboi k, chang jw, whitby lr, speers ae, pugh h, cravatt bf. discovery and optimization of piperidyl-1,2,3-triazole ureas as potent, selective, and in vivo-active inhibitors of α/β-hydrolase domain containing 6 (abhd6). j med chem. 2013 nov 14;56(21):8270-9. |
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| Company Name: |
Energy Chemical
|
| Tel: |
021-58432009 400-005-6266 |
| Website: |
http://www.energy-chemical.com |
| Company Name: |
Merck KGaA
|
| Tel: |
21-20338288 |
| Website: |
www.sigmaaldrich.cn |
|