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]:
[Related Catalog]:
[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
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
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
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...