N-[(4-Hydroxyphenyl)acetyl]glutamic acid

Modify Date: 2024-01-02 20:35:04

N-[(4-Hydroxyphenyl)acetyl]glutamic acid Structure
N-[(4-Hydroxyphenyl)acetyl]glutamic acid structure
Common Name N-[(4-Hydroxyphenyl)acetyl]glutamic acid
CAS Number 28047-15-6 Molecular Weight 281.261
Density 1.4±0.1 g/cm3 Boiling Point 646.6±55.0 °C at 760 mmHg
Molecular Formula C13H16N2O4 Melting Point 85-87?C
MSDS N/A Flash Point 344.9±31.5 °C

 Use of N-[(4-Hydroxyphenyl)acetyl]glutamic acid


Phenylacetylglutamine is a colonic microbial metabolite from amino acid fermentation.

 Names

Name N2-phenylacetyl-L-glutamine
Synonym More Synonyms

 N-[(4-Hydroxyphenyl)acetyl]glutamic acid Biological Activity

Description Phenylacetylglutamine is a colonic microbial metabolite from amino acid fermentation.
Related Catalog
Target

Human Endogenous Metabolite

In Vitro Phenylacetylglutamine is a colonic microbial metabolite from amino acid fermentation. It results from glutamine conjugation of phenylacetic acid, which is almost exclusively derived from the microbial conversion of phenylalanine[1].
References

[1]. Poesen R, et al. Microbiota-Derived Phenylacetylglutamine Associates with Overall Mortality and Cardiovascular Disease in Patients with CKD. J Am Soc Nephrol. 2016 Nov;27(11):3479-3487.

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 646.6±55.0 °C at 760 mmHg
Melting Point 85-87?C
Molecular Formula C13H16N2O4
Molecular Weight 281.261
Flash Point 344.9±31.5 °C
Exact Mass 281.089935
PSA 109.49000
LogP -1.38
Vapour Pressure 0.0±2.0 mmHg at 25°C
Index of Refraction 1.595
Storage condition Store at 0-5°C

 MSDS

Material Safety Data Sheet

Section1. Identification of the substance
Product Name: Phenylac-Gln-OH
Synonyms:

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

Section3. Composition/information on ingredients.
Ingredient name:Phenylac-Gln-OH
CAS number:28047-15-6

Section4. First aid measures
Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

Section6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution:Wear approved mask/respirator
Hand precaution:Wear suitable gloves/gauntlets
Skin protection:Wear suitable protective clothing
Eye protection:Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

Section7. Handling and storage
Handling:This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels, refrigerated.
Storage:

Section8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section9. Physical and chemical properties
Appearance:Not specified
Boiling point:No data
No data
Melting point:
Flash point:No data
Density:No data
Molecular formula:C13H16N2O4
Molecular weight:264.3

Section10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

Section11. Toxicological information
No data.

Section12. Ecological information
No data.

Section13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section14. Transportation information
Non-harzardous for air and ground transportation.

Section15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MA2276800
CHEMICAL NAME :
Glutamine, N(sup 2)-(phenylacetyl)-, L-
CAS REGISTRY NUMBER :
28047-15-6
BEILSTEIN REFERENCE NO. :
2593680
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H16-N2-O4
MOLECULAR WEIGHT :
264.31
WISWESSER LINE NOTATION :
ZV2YVQMV1R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1400 mg/kg
TOXIC EFFECTS :
Tumorigenic - active as anti-cancer agent
REFERENCE :
IJMDAI Israel Journal of Medical Sciences. (POB 1435, Jerusalem 91013, Israel) V.1- 1965- Volume(issue)/page/year: 13,316,1977

 Safety Information

Hazard Codes Xi
HS Code 2924299090

 Customs

HS Code 2924299090
Summary 2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Synonyms

N(2)-phenylacetyl-L-glutamine
(2S)-5-amino-5-oxo-2-[(2-phenylacetyl)amino]pentanoic acid
N-[(4-Hydroxyphenyl)acetyl]glutamic acid
Glutamic acid, N-[2-(4-hydroxyphenyl)acetyl]-
Phenylacetyl L-Glutamine
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