| Identification | Back Directory | [Name]
PHENACETIN-ETHOXY-1-13C | [CAS]
72156-72-0 | [Synonyms]
PHENACETIN-ETHOXY-1-13C
Phenacetin- oxethyl-1-13C
phenacetin-13c1(ethoxy-1-13c)
ACETOPHENETIDIN (ETHOXY-1-13C)
P-ACETOPHENETIDIDE-ETHOXY-1-13C
n-(4-ethoxy-1-13c-phenyl)acetamide
PHENACETIN-ETHOXY-1-13C, 98 ATOM % 13C
N-[4-ETHOXYPHENYL]ACETAMIDE (ETHOXY-1-13C)
N-(4-Ethoxy-1-13C-phenyl)acetamide, p-Acetophenetidide-ethoxy-1-13C
Phenacetin-ethoxy-1-13C,N-(4-Ethoxy-1-13C-phenyl)acetamide, p-Acetophenetidide-ethoxy-1-13C | [Molecular Formula]
C10H13NO2 | [MDL Number]
MFCD00083951 | [MOL File]
72156-72-0.mol | [Molecular Weight]
180.22 |
| Chemical Properties | Back Directory | [Melting point ]
134-136 °C(lit.) | [form ]
solid | [InChI]
1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)/i3+1 | [InChIKey]
CPJSUEIXXCENMM-LBPDFUHNSA-N | [SMILES]
C[13CH2]Oc1ccc(NC(C)=O)cc1 | [CAS Number Unlabeled]
62-44-2 |
| Hazard Information | Back Directory | [Uses]
Phenacetin-13C is the 13C labeled Phenacetin[1]. Phenacetin (Acetophenetidin) is a non-opioid analgesic/antipyretic agent. Phenacetin is a selective COX-3 inhibitor. Phenacetin is used as probe of cytochrome P450 enzymes CYP1A2 in human liver microsomes and in rats[2][3][4]. | [References]
[1] Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. DOI:10.1177/1060028018797110
[2] Chandrasekharan NV, et al. COX-3, a cyclooxygenase-1 variant inhibited by acetaminophen and other analgesic/antipyretic drugs: cloning, structure, and expression. Proc Natl Acad Sci U S A. 2002 Oct 15;99(21):13926-31. DOI:10.1073/pnas.162468699
[3] Xiao-Meng He, et al. Effects of long-term smoking on the activity and mRNA expression of CYP isozymes in rats. J Thorac Dis. 2015 Oct 7(10): 1725–1731. DOI:10.3978/j.issn.2072-1439.2015.10.07
[4] Na Gao, et al. Inhibition of Baicalin on Metabolism of Phenacetin, a Probe of CYP1A2, in Human Liver Microsomes and in Rats. PLoS One. 2014 9(2): e89752. DOI:10.1371/journal.pone.0089752 |
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Merck KGaA
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21-20338288 |
| Website: |
www.sigmaaldrich.cn |
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SIGMA-RBI
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800 736 3690 (Orders) |
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www.sigma-aldrich.com |
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