4-Hydroxyphenylpyruvic acid
Names
[ CAS No. ]:
156-39-8
[ Name ]:
4-Hydroxyphenylpyruvic acid
[Synonym ]:
MFCD00002591
EINECS 205-852-9
3-(4-hydroxyphenyl)-2-oxopropanoic acid
4-Hydroxyphenylpyruvic acid
Biological Activity
[Description]:
[Related Catalog]:
[Target]
Human Endogenous Metabolite
[References]
[Related Small Molecules]
Chemical & Physical Properties
[ Density]:
1.397 g/cm3
[ Boiling Point ]:
380.8ºC at 760 mmHg
[ Melting Point ]:
219-220 °C (dec.)(lit.)
[ Molecular Formula ]:
C9H8O4
[ Molecular Weight ]:
180.15700
[ Flash Point ]:
198.3ºC
[ Exact Mass ]:
180.04200
[ PSA ]:
74.60000
[ LogP ]:
0.58840
[ Vapour Pressure ]:
0mmHg at 25°C
[ Index of Refraction ]:
1.705
[ Storage condition ]:
2-8°C
[ Water Solubility ]:
slightly soluble
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- UZ1000000
- CHEMICAL NAME :
- Pyruvic acid, p-hydroxyphenyl-
- CAS REGISTRY NUMBER :
- 156-39-8
- BEILSTEIN REFERENCE NO. :
- 2691632
- LAST UPDATED :
- 199803
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C9-H8-O4
- MOLECULAR WEIGHT :
- 180.17
- WISWESSER LINE NOTATION :
- QVV1R DQ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 30 gm/kg/10D-C
- TOXIC EFFECTS :
- Biochemical - Metabolism (Intermediary) - amino acids (including renal excretion)
- REFERENCE :
- JONUAI Journal of Nutrition. (Subscription Dept., 9650 Rockville Pike, Bethesda, MD 20014) V.1- 1928- Volume(issue)/page/year: 95,535,1968
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 30 gm/kg/10D-C
- TOXIC EFFECTS :
- Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases Biochemical - Metabolism (Intermediary) - amino acids (including renal excretion)
- REFERENCE :
- JONUAI Journal of Nutrition. (Subscription Dept., 9650 Rockville Pike, Bethesda, MD 20014) V.1- 1928- Volume(issue)/page/year: 95,535,1968 ** TUMORIGENIC DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1600 mg/kg/8W-I
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Kidney, Ureter, Bladder - tumors
- REFERENCE :
- VOONAW Voprosy Onkologii. Problems of Oncology. For English translation, see PONCAU. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-10, 1928-37; V.1- 1955- Volume(issue)/page/year: 22(6),47,1976
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: Irritant;
[ Risk Phrases ]:
R36/37/38
[ Safety Phrases ]:
S26-S37/39
[ RIDADR ]:
NONH for all modes of transport
[ WGK Germany ]:
3
[ RTECS ]:
UZ1000000
[ HS Code ]:
2918990090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2918990090
[ Summary ]:
2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
Articles
J. Biol. Chem. 282 , 23841-53, (2007)
Organic anion transporters (OATs, SLC22) interact with a remarkably diverse array of endogenous and exogenous organic anions. However, little is known about the structural features that determine thei...
Mechanistic insights into Mg2+-independent prenylation by CloQ from classical molecular mechanics and hybrid quantum mechanics/molecular mechanics molecular dynamics simulations.Biochemistry 53(30) , 5034-41, (2014)
Understanding the mechanism of prenyltransferases is important to the design of engineered proteins capable of synthesizing derivatives of naturally occurring therapeutic agents. CloQ is a Mg(2+)-inde...
Elucidation of common pharmacophores from analysis of targeted metabolites transported by the multispecific drug transporter—Organic anion transporter1 (Oat1)Bioorg. Med. Chem. 19 , 3320-40, (2011)
Organic anion transporter 1 (Oat1), first identified as NKT, is a multispecific transporter responsible for the handling of drugs and toxins in the kidney and choroid plexus, but its normal physiologi...