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

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

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.

Name	N2-phenylacetyl-L-glutamine
Synonym	More Synonyms

Description	Phenylacetylglutamine is a colonic microbial metabolite from amino acid fermentation.
Related Catalog	Research Areas >> Others Natural Products >> Others
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.

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

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

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

Hazard Codes	Xi
HS Code	2924299090

L-Glutamine

CAS#:56-85-9

Phenylacetyl ch...

CAS#:103-80-0

~69%

N-[(4-Hydroxyph...

CAS#:28047-15-6

Literature: Carboni, Chiara; Kierkels, Hans G. T.; Gardossi, Lucia; Tamiola, Kamil; Janssen, Dick B.; Quaedflieg, Peter J. L. M. Tetrahedron Asymmetry, 2006 , vol. 17, # 2 p. 245 - 251

Precursor 2
CAS#:56-85-9 L-Glutamine CAS#:103-80-0 Phenylacetyl ch...
DownStream 2
CAS#:103-82-2 Phenylacetic acid CAS#:6893-26-1 D(-)-Glutamic acid

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%