2-Furoylglycine

Names

[ Name ]:
2-Furoylglycine

[Synonym ]:
2-Furoylglycine
GLYCINE,N-2-FUROYL
Furfuroylglycine
Furoylglycine
MFCD00030606
Pyromucuric acid
Glycine,1-furoyl

Biological Activity

[Description]:

2-Furoylglycine, a urinary metabolite in human, is a putative biomarker for coffee consumption[1].

[Related Catalog]:

Research Areas >> Others

[Target]

Human Endogenous Metabolite

[In Vitro]

2-Furoylglycine is an intermediate that can be used in the synthesis of non-nucleoside inhibitors of HCV NS5b RNA polymerase[2].

[References]

[1]. Silke S Heinzmann, et al. 2-Furoylglycine as a Candidate Biomarker of Coffee Consumption. J Agric Food Chem. 2015 Sep 30;63(38):8615-21.

[2]. Stephen S Antonysamy, et al. Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors. Bioorg Med Chem Lett. 2008 May 1;18(9):2990-5.

Chemical & Physical Properties

[ Density]:
1.28g/cm3

[ Boiling Point ]:
440.6ºC at 760 mmHg

[ Melting Point ]:
163-165ºC(lit.)

[ Molecular Formula ]:
C₇H₇NO₄

[ Molecular Weight ]:
169.13500

[ Flash Point ]:
220.3ºC

[ Exact Mass ]:
169.03800

[ PSA ]:
79.54000

[ LogP ]:
0.48490

[ Index of Refraction ]:
1.676

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MC0555300

CHEMICAL NAME :: Glycine, N-2-furoyl-

CAS REGISTRY NUMBER :: 5657-19-2

BEILSTEIN REFERENCE NO. :: 0142378

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C7-H7-N-O4

MOLECULAR WEIGHT :: 169.15

WISWESSER LINE NOTATION :: T5OJ BVM1VQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >7500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 106,406,1967

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 865 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 106,406,1967

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
36/37/38

[ Safety Phrases ]:
26-36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
MC0555300

[ HS Code ]:
2932190090

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2932190090

[ Summary ]:
2932190090 other compounds containing an unfused furan ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

Articles

The identification and metabolic origin of 2-furoylglycine and 2,5-furandicarboxylic acid in human urine.

Clin. Chim. Acta 41 , 199-207, (1972)

Metabolism and excretion of [14C]furfural in the rat and mouse.

Food Chem. Toxicol. 32(10) , 887-95, (1994)

The fate of furfural (2-furancarboxaldehyde) was investigated in male and female Fischer 344 (F344) rats given single oral doses of 1, 10 and 60 mg/kg and male and female CD1 mice given 1, 20 and 200 ...

Urinary metabolomic analysis for the identification of renal injury in patients with acute heart failure.

Acad. Emerg. Med. 19(1) , 18-23, (2012)

Worsening renal function in patients admitted with heart failure is associated with increased morbidity. These changes are not usually apparent initially and often take up to 48 hours to be detected. ...