E4CPG - ≥98% , CAS No.170846-89-6

CAS: 170846-89-6 Cat. No.: E345274 分子式: C₁₁H₁₃NO₄ 分子量: 223.23

グレード＆純度 ≥98%

Synonyms

(RS)-α-Ethyl-4-carboxyphenylglycine|4-(2-amino-1-hydroxy-1-oxobutan-2-yl)benzoic acid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

E4CPG is a group I/group II metabotropic glutamate receptor antagonist which is more potent than (RS)-MCPG .

仕様

同義語

(RS)-α-Ethyl-4-carboxyphenylglycine | 4-(2-amino-1-hydroxy-1-oxobutan-2-yl)benzoic acid

仕様と純度

≥98%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

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。

アクションタイプ

ANTAGONIST

純度

≥98%

名前と識別子

パブケム・シド

528764327

カノニカル・スマイル

CCC(C1=CC=C(C=C1)C(=O)O)(C(=O)O)N

IUPAC Name

4-(1-amino-1-carboxypropyl)benzoic acid

InChIKey

AIEFWRHRHFRLFT-UHFFFAOYSA-N

INCHI

1S/C11H13NO4/c1-2-11(12,10(15)16)8-5-3-7(4-6-8)9(13)14/h3-6H,2,12H2,1H3,(H,13,14)(H,15,16)

異性体SMILES

CCC(C1=CC=C(C=C1)C(=O)O)(C(=O)O)N

分子量

223.23

Reaxy-Rn

8414574

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8414574&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 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
• Direct Parent: Alpha amino acids
• Alternative Parents: Phenylpropanes Benzoic acids Benzoyl derivatives Aralkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid - Benzoic acid or derivatives - Benzoic acid - Phenylpropane - Benzoyl - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Primary amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
• External Descriptors: Not available

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

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble to 100 mM in 1.1 eq. NaOH
• 分子量: 223.220 g/mol
• XLogP3: -1.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 223.084 Da
• Monoisotopic Mass: 223.084 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 284.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1