Introduction：Basic information about CAS 28047-15-6|N-[(4-Hydroxyphenyl)acetyl]glutamic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | N-[(4-Hydroxyphenyl)acetyl]glutamic acid |
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| CAS Number | 28047-15-6 | Molecular Weight | 281.261 |
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| Density | 1.4±0.1 g/cm3 | Boiling Point | 646.6±55.0 °C at 760 mmHg |
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| Molecular Formula | C13H16N2O4 | Melting Point | 85-87?C |
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| MSDS | / | Flash Point | 344.9±31.5 °C |
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Names
| Name | N2-phenylacetyl-L-glutamine |
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| Synonym | More Synonyms |
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N-[(4-Hydroxyphenyl)acetyl]glutamic acid BiologicalActivity
| Description | Phenylacetylglutamine is a colonic microbial metabolite from amino acid fermentation. |
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| Related Catalog | Research Areas >>OthersNatural Products >>Others |
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| Target | Human Endogenous Metabolite |
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| 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]. |
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| 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. |
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Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
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| Boiling Point | 646.6±55.0 °C at 760 mmHg |
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| Melting Point | 85-87?C |
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| Molecular Formula | C13H16N2O4 |
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| Molecular Weight | 281.261 |
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| Flash Point | 344.9±31.5 °C |
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| Exact Mass | 281.089935 |
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| PSA | 109.49000 |
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| LogP | -1.38 |
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| Vapour Pressure | 0.0±2.0 mmHg at 25°C |
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| Index of Refraction | 1.595 |
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| InChIKey | JFLIEFSWGNOPJJ-JTQLQIEISA-N |
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| SMILES | NC(=O)CCC(NC(=O)Cc1ccccc1)C(=O)O |
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| Storage condition | Store at 0-5°C |
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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 DATAACUTE 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
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Safety Information
| Hazard Codes | Xi |
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| HS Code | 2924299090 |
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Customs
| HS Code | 2924299090 |
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| 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% |
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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 |
