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

CAS: 500-98-1 Cat. No.: N135929 分子式: C₁₀H₁₁NO₃ 分子量: 193.2 EC番号: 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

概要

It is a metabolite of carboxylic acid

Specifications

同義語

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)- |

仕様と純度

≥97%

生化学的・生理学的メカニズム

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

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

パブケム・シド

504754261

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504754261

カノニカル・スマイル

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)

異性体SMILES

C1=CC=C(C=C1)CC(=O)NCC(=O)O

分子量

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
    • 分類 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
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Solubility in Methanol almost transparency
• 融点（°C）: 143 - 147°C
• 分子量: 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