CGP 39551 - ≥99% , CAS No.127910-32-1

CAS: 127910-32-1 Cat. No.: C275038 분자식: C₈H₁₆NO₅P 분자량: 237.19 EC 번호: 694-678-0

GRADE & PURITY ≥99%

Synonyms

Cgp 39551 | (E)-(4-Amino-5-ethoxy-2-methyl-5-oxopent-2-en-1-yl)phosphonicacid | dl-(e)-2-amino-4-methyl-5-phosphono-3-pentenoic acid ethyl ester | E-2-amino-4-methyl-5 -phosphono-3-pentenoic acid ethyl ester | E-2-amino-4-methyl-5-phosphono-3-pentenoic ac

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

개요

Store at +4°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

동의어

Cgp 39551 | (E)-(4-Amino-5-ethoxy-2-methyl-5-oxopent-2-en-1-yl)phosphonicacid | dl-(e)-2-amino-4-methyl-5-phosphono-3-pentenoic acid ethyl ester | E-2-amino-4-methyl-5 -phosphono-3-pentenoic acid ethyl ester | E-2-amino-4-methyl-5-phosphono-3-pentenoic ac

사양 및 순도

≥99%

생화학 및 생리적 메커니즘

Competitive NMDA receptor antagonist (K i = 310 nM for displacement of CPP binding in rat brain). Potent oral anticonvulsant activity in vivo .

보관 조건

Store at -20°C,Desiccated

배송

Ice chest + Ice pads

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작업 유형

ANTAGONIST

참고

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

순수함

≥99%

이름과 식별자

Pubchem Sid

488195732

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195732

정식 스마일

CCOC(=O)C(C=C(C)CP(=O)(O)O)N

IUPAC Name

[(E)-4-amino-5-ethoxy-2-methyl-5-oxopent-2-enyl]phosphonic acid

InChIKey

OKDOWCKDTWNRCB-GQCTYLIASA-N

INCHI

1S/C8H16NO5P/c1-3-14-8(10)7(9)4-6(2)5-15(11,12)13/h4,7H,3,5,9H2,1-2H3,(H2,11,12,13)/b6-4+

이성체 SMILES

CCOC(=O)C(/C=C(\C)/CP(=O)(O)O)N

분자량

237.19

Reaxy-Rn

37358779

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37358779&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 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
• 분류: 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: Fatty acid esters Organic phosphonic acids Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organophosphorus compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid ester - Fatty acid ester - Fatty acyl - Organophosphonic acid derivative - Organophosphonic acid - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Aliphatic acyclic compound
• 설명: 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

화학 및 물리적 특성

• 용해성: Soluble in water to 100 mM
• 분자량: 237.190 g/mol
• XLogP3: -3.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 237.077 Da
• Monoisotopic Mass: 237.077 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 295.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 127910-32-1, the molecular formula is C8H16NO5P, and the molecular weight is 237.19 g/mol. InChIKey OKDOWCKDTWNRCB-GQCTYLIASA-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.