Tebuconazole-d9
Tebuconazole-d9 is the deuterium labeled Tebuconazole. Tebuconazole is an agricultural azole fungicide which can also inhibit CYP51 with IC50s of 0.9 and 1.3 μM for Candida albicans CYP51 (CaCYP51) and truncated Homo sapiens CYP51 (Δ60HsCYP51), respectively.
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- CAS No.: 1246818-83-6
- Formule: C16H13D9ClN3O
- Masse moléculaire:316.87
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Stockage:
Please store the product under the recommended conditions in the Certificate of Analysis.
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Activité biologique
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Chemical Information
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Activité biologique
Description
In Vitro
Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Cell Line:HepG2 cells
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Concentration:20,40,80 μM
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Incubation Time:1–12 hours
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Result:Increased the nuclear translocation of peroxisome proliferator-activated receptors and the expression of cluster of differentiation 36, fatty acid transport protein (FATP) 2, FATP5, and carnitine palmitoyltransferase 1.
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Cell Line:Bovine mammary gland epithelial cells (MAC-T cells)
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Concentration:100,150,200,250,500,750 μM
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Incubation Time:24 hours
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Result:Decreased cells viability and proliferation and activates apoptotic cell death via the upregulation of pro-apoptotic proteins, such as cleaved caspases 3 and 8 and BAX.
Induced loss of mitochondrial membrane potential in MAC-T cells.
Induced mitochondria-mediated apoptotic MAC-T cell death by activating ER stress.
Induced endoplasmic reticulum (ER) stress via the upregulation of Bip/GRP78; PDI; ATF4; CHOP; and ERO1-Lα.
Application
1. This compound can be used as a tracer
2. This compound can be used as an internal standard for quantitative analysis by NMR, GC-MS, or LC-MS.
Chemical Information
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CAS No. 1246818-83-6
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Unlabeled CAS 107534-96-3
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Masse moléculaire 316.87
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Formule C16H13D9ClN3O
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SMILES
OC(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])(CCC1=CC=C(Cl)C=C1)CN2C=NC=N2
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Livraison
Room temperature in continental US; may vary elsewhere.
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Stockage
Please store the product under the recommended conditions in the Certificate of Analysis.
Pureté et documentation
Références
[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216. [Content Brief]
[2]. Warrilow AG, et al. Azole affinity of sterol 14α-demethylase (CYP51) enzymes from Candida albicans and Homo sapiens. Antimicrob Agents Chemother. 2013 Mar;57(3):1352-60. [Content Brief]
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Tebuconazole-d9 Related Classifications
HY-B0852S Related Classifications
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