L-ピログルタミン酸メチルエステル - ≥97%以上(GC) , CAS No.4931-66-2

CAS: 4931-66-2 Cat. No.: M138905 分子式: C₆H₉NO₃ 分子量: 143.14 EC番号: 225-567-3

GRADE & PURITY ≥97%(GC)

Synonyms

Methyl ester of L-Pyrrolidonecarboxylic acid | M2198 | methyl(s)-(+)-2 pyrrolidone-5-carboxylate | (+)-L-Pyroglutamic acid methyl ester | (S)-Pyroglutamic Acid Methyl Ester | AS-38129 | H-Pyr-OMe | Piperazine, 1-(2-phenylethyl)- | (S)-methyl 2-pyrrolidone

Storage

Argon charged,Room temperature

Shipped In

ノーマル

Specifications

同義語

Methyl ester of L-Pyrrolidonecarboxylic acid | M2198 | methyl(s)-(+)-2 pyrrolidone-5-carboxylate | (+)-L-Pyroglutamic acid methyl ester | (S)-Pyroglutamic Acid Methyl Ester | AS-38129 | H-Pyr-OMe | Piperazine, 1-(2-phenylethyl)- | (S)-methyl 2-pyrrolidone

仕様と純度

≥97%以上(GC)

保管条件

Argon charged,Room temperature

入荷

ノーマル

純度

≥97%(GC)

名前と識別子

パブケム・シド

488185606

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488185606

カノニカル・スマイル

COC(=O)C1CCC(=O)N1

IUPAC Name

methyl (2S)-5-oxopyrrolidine-2-carboxylate

InChIKey

HQGPKMSGXAUKHT-BYPYZUCNSA-N

INCHI

1S/C6H9NO3/c1-10-6(9)4-2-3-5(8)7-4/h4H,2-3H2,1H3,(H,7,8)/t4-/m0/s1

異性体SMILES

COC(=O)[C@@H]1CCC(=O)N1

WGKドイツ

3

分子量

143.14

Reaxy-Rn

81950

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=81950&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 acid esters

• 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 acid esters
• Alternative Parents: Proline and derivatives Pyrrolidine carboxylic acids Oxoprolines Pyrrolidine-2-ones Methyl esters Secondary carboxylic acid amides Lactams Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid ester - Proline or derivatives - Oxoproline - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - 2-pyrrolidone - Pyrrolidone - Methyl ester - Pyrrolidine - Carboxamide group - Carboxylic acid ester - Lactam - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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

関連ターゲット（人間）

P2RX7 Tchem P2X purinoceptor 7 (5534 Activities)

Discover Target: P2RX7

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

関連ターゲット（非人間）

Phytophthora infestans (820 Activities)

Explore this target

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

• 感度: Air sensitive
• 屈折率: 1.49
• 比旋光度［α］: 10° (C=1,EtOH)
• 引火点（°F）: 235.4 °F
• 引火点（°C）: 113 °C
• 沸点（°C）: 135 °C
• 分子量: 143.140 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 143.058 Da
• Monoisotopic Mass: 143.058 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 166.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

よくある質問

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 4931-66-2, the molecular formula is C6H9NO3, and the molecular weight is 143.14 g/mol. InChIKey HQGPKMSGXAUKHT-BYPYZUCNSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.