Pimelic acid

Names

[ CAS No. ]:
111-16-0

[ Name ]:
Pimelic acid

[Synonym ]:
Pimefilina [INN-Spanish]
Heptanedioic acid
1,3-dimethyl-7-[2-(pyridin-3-ylmethyl-amino)-ethyl]-3,7-dihydro-purine-2,6-dione
Pimefylline [INN]
Pimelic acid
Pimefyllinum [INN-Latin]
Pimefyllin
7-(ss-3'-Picolylaminoaethyl)-theophyllin
Pimephylline
7-(2-((3-Pyridylmethyl)amino)ethyl)theophylline
heptanedioate
1,7-heptanedioic acid
EINECS 203-840-8
Pimefylline
heptane-1,7-dioic acid
MFCD00004425
UNII-BZQ96WX25F

Biological Activity

[Description]:

Pimelic acid is the organic compound and its derivatives are involved in the biosynthesis of the amino acid called lysine.

[Related Catalog]:

Natural Products >> Acids and Aldehydes

Research Areas >> Metabolic Disease

[Target]

Human Endogenous Metabolite

[Related Small Molecules]

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
353.7±25.0 °C at 760 mmHg

[ Melting Point ]:
103-105 °C(lit.)

[ Molecular Formula ]:
C₇H₁₂O₄

[ Molecular Weight ]:
160.168

[ Flash Point ]:
181.9±19.7 °C

[ Exact Mass ]:
160.073563

[ PSA ]:
74.60000

[ LogP ]:
0.27

[ Vapour Pressure ]:
0.0±1.7 mmHg at 25°C

[ Index of Refraction ]:
1.476

[ Stability ]:
Stable. Incompatible with oxidizing agents, bases. Combustible.

[ Water Solubility ]:
25 g/L (13 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TK3677000

CHEMICAL NAME :: Pimelic acid

CAS REGISTRY NUMBER :: 111-16-0

BEILSTEIN REFERENCE NO. :: 1210024

LAST UPDATED :: 199701

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C7-H12-O4

MOLECULAR WEIGHT :: 160.19

WISWESSER LINE NOTATION :: QV5VQ

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 :: 7 gm/kg

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

REFERENCE :: 34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969 Volume(issue)/page/year: -,477,1969

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 4800 mg/kg

TOXIC EFFECTS :: Tumorigenic - active as anti-cancer agent

REFERENCE :: BIJOAK Biochemical Journal. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1906- Volume(issue)/page/year: 34,1196,1940

Safety Information

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

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
TK3677000

[ HS Code ]:
2917190090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2917190090

[ Summary ]:
2917190090 acyclic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Articles

Age-related reference values for urinary organic acids in a healthy Turkish pediatric population.

Clin. Chem. 40(6) , 862-6, (1994)

Organic acid concentrations were quantified by gas chromatography and the individual acids identified by mass spectrometry in urine specimens from a healthy Turkish pediatric population of ages 2 days...

Concentrations of riboflavin and related organic acids in children with protein-energy malnutrition.

Am. J. Clin. Nutr. 71(4) , 978-86, (2000)

Riboflavin, flavin mononucleotide (FMN), and flavin adenine dinucleotide (FAD) concentrations have been little studied in cases of malnutrition.Our objective was to investigate the effects of malnutri...

Azelaic acid--biochemistry and metabolism.

Acta Derm. Venereol. Suppl. (Stockh.) 143 , 8-13, (1989)

Medium chain length dicarboxylic acids (DA) from C8 to C13 are competitive inhibitors of tyrosinase in vitro. The introduction of electron acceptor groups or electron donor groups into the 2 and/or th...