Phenaceturic Acid - ≥97% , CAS No.500-98-1

CAS: 500-98-1 Cat. No.: N135929 Peso molecular: 193.2 Número EC: 207-916-1

GRADE & PURITY ≥97%

Synonyms

HY-W015061 | Phenacetylglycine | N-Phenacetylglycine | Cambridge id 5117723 | Phenaceturate | bmse000658 | 2-(2-Phenylacetamido)Acetic Acid | EINECS 207-916-1 | N-(2-PHENYLACETYL)GLYCINE | P0131 | PHENATURIC ACID | C05598 | GLYCINE, N-(2-PHENYLACETYL)- |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

It is a metabolite of carboxylic acid

Specifications

Sinónimos

HY-W015061 | Phenacetylglycine | N-Phenacetylglycine | Cambridge id 5117723 | Phenaceturate | bmse000658 | 2-(2-Phenylacetamido)Acetic Acid | EINECS 207-916-1 | N-(2-PHENYLACETYL)GLYCINE | P0131 | PHENATURIC ACID | C05598 | GLYCINE, N-(2-PHENYLACETYL)- |

Especificaciones y pureza

≥97%

Mecanismos bioquímicos y fisiológicos

Phenylacetylglycine is an acylglycine. Acylglycines are normally minor metabolites of fatty acids. However, the excretion of certain acylglycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504754261
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754261
• Sonrisas canónicas: C1=CC=C(C=C1)CC(=O)NCC(=O)O
• IUPAC Name: 2-[(2-phenylacetyl)amino]acetic acid
• InChIKey: UTYVDVLMYQPLQB-UHFFFAOYSA-N
• INCHI: 1S/C10H11NO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)
• Isómeros SMILES: C1=CC=C(C=C1)CC(=O)NCC(=O)O
• Peso molecular: 193.2
• Reaxy-Rn: 1107116
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1107116&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 N-acyl-alpha amino acids and derivatives
              • Level8 N-acyl-alpha amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives - N-acyl-alpha amino acids and derivatives
• Direct Parent: N-acyl-alpha amino acids
• Alternative Parents: Benzene and substituted derivatives Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Carboximidic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-acyl-alpha-amino acid - Monocyclic benzene moiety - Benzenoid - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
• External Descriptors: monocarboxylic acid - monocarboxylic acid amide - N-acylglycine

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

PAM Tchem Peptidyl-glycine alpha-amidating monooxygenase (90 Activities)

Discover Target: PAM

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility in Methanol almost transparency
• Punto de fusión (°C): 143 - 147°C
• Peso molecular: 193.200 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 193.074 Da
• Monoisotopic Mass: 193.074 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 209.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Yamin Liu, Xunjiang Wang, Jiaojiao Wei, Kangning Fu, Yilin Chen, Linnan Li, Zhengtao Wang, Li Yang.  (2024)  Comprehensive Profiling of Amino Acids and Derivatives in Biological Samples: A Robust UHPLC-MS/MS Method for Investigating Acute Lung Injury.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:38537486] [10.1016/j.chroma.2024.464816]

2. Baoyan Ding, Wei Meng, Xiaoling Zang, Zhihua Lv.  (2024)  Metabolic characteristics of prostate cancer cells with high metastatic potential revealed by (S)-ethyl 1-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate inhibition.  JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS,      [PMID:39662125] [10.1016/j.jpba.2024.116611]

3. Chao Chen, Hongxia Zhang, Lingling Qi, Haoqi Lei, Xuefei Feng, Yingjie Chen, Yuanyuan Cheng, Defeng Pang, Jufeng Wan, Haiying Xu, Shifeng Cao, Baofeng Yang, Yan Zhang, Xin Zhao.  (2025)  Obesity-driven oleoylcarnitine accumulation in tumor microenvironment promotes breast cancer metastasis-like phenotype.  Acta Pharmaceutica Sinica B,      [PMID:40486851] [10.1016/j.apsb.2025.02.026]

4. SunHongzheng , HanLongsen , GuoYueshuai , AnHuiqing , WangBing , ZhangXiangzheng , LiJiashuo , JiangYingtong , WangYue , SunGuangyi , ZhuShuai , TangShoubin , GeJuan , ChenMinjian , GuoXuejiang , WangQiang.  (2024)  The global phosphorylation landscape of mouse oocytes during meiotic maturation.  EMBO JOURNAL,      [PMID:39256562] [10.1038/s44318-024-00222-1]