Phenacetin-13C

Modify Date: 2024-01-27 21:00:23

Phenacetin-13C structure	Common Name	Phenacetin-13C
	CAS Number	72156-72-0	Molecular Weight	180.20800
	Density	1.099g/cm3	Boiling Point	N/A
	Molecular Formula	C₁₀H₁₃NO₂	Melting Point	134-136ºC(lit.)
	MSDS	Chinese USA	Flash Point	N/A
	Symbol	GHS07, GHS08	Signal Word	Danger

Use of Phenacetin-13C

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].

Name	N-(4-ethoxyphenyl)acetamide
Synonym	More Synonyms

Description	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].
Related Catalog	Research Areas >> Inflammation/Immunology Signaling Pathways >> Immunology/Inflammation >> COX
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].
References	[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. [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. [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. [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.

Density	1.099g/cm3
Melting Point	134-136ºC(lit.)
Molecular Formula	C₁₀H₁₃NO₂
Molecular Weight	180.20800
Exact Mass	180.09800
PSA	38.33000
LogP	2.11670
Index of Refraction	1.548

Symbol	GHS07, GHS08
Signal Word	Danger
Hazard Statements	H302-H350
Precautionary Statements	P201-P308 + P313
Hazard Codes	T: Toxic;
Risk Phrases	45-46-20/21/22
Safety Phrases	53-22-36/37/39-45
RIDADR	UN 3077 9 / PGIII

iodoethane

CAS#:75560-39-3

4-Acetamidophenol

CAS#:103-90-2

~96%

Phenacetin-13C

CAS#:72156-72-0

Literature: Kurumaya; Kajiwara; Abei; Hirano; Kokubun Chemical and pharmaceutical bulletin, 1988 , vol. 36, # 7 p. 2679 - 2681

Ethanoic anhydride

CAS#:108-24-7

N/A

CAS#:117005-54-6

~73%

Phenacetin-13C

CAS#:72156-72-0

Literature: Kurumaya; Kajiwara; Abei; Hirano; Kokubun Chemical and pharmaceutical bulletin, 1988 , vol. 36, # 7 p. 2679 - 2681

4-Nitrophenol

CAS#:100-02-7

Phenacetin-13C

CAS#:72156-72-0

Literature: Kurumaya; Kajiwara; Abei; Hirano; Kokubun Chemical and pharmaceutical bulletin, 1988 , vol. 36, # 7 p. 2679 - 2681

N/A

CAS#:117005-53-5

Phenacetin-13C

CAS#:72156-72-0

Literature: Kurumaya; Kajiwara; Abei; Hirano; Kokubun Chemical and pharmaceutical bulletin, 1988 , vol. 36, # 7 p. 2679 - 2681

Precursor 4
CAS#:75560-39-3 iodoethane CAS#:103-90-2 4-Acetamidophenol CAS#:108-24-7 Ethanoic anhydride CAS#:100-02-7 4-Nitrophenol
DownStream 0

Gastroenterology 72 , 1033, (1977)

N-(4-Ethoxy-1-13C-phenyl)acetamide

MFCD00083951

N-4-((1-13C)Ethoxy)phenylacetamide

Phenacetin-13C1 (ethoxy-1-13C)

p-Acetophenetidide-ethoxy-1-13C

(<1-13C>ethoxy)phenacetin

Phenacetin-ethoxy-1-13C

Phenacetin-13C

Use of Phenacetin-13C

Names

Phenacetin-13C Biological Activity

Chemical & Physical Properties

Safety Information

Synthetic Route

Precursor & DownStream

Articles1

Synonyms