(R)-CPPene (SDZ EAA 494) - ≥98% , CAS No.117414-74-1

CAS: 117414-74-1 Cat. No.: C275335 分子式: C₈H₁₅N₂O₅P 分子量: 250.19

グレード＆純度 ≥98%

Synonyms

d-cppene | D-Cpp-ene | (2R)-4-[(2E)-3-phosphonoprop-2-en-1-yl]piperazine-2-carboxylic acid | Midafotel | (R)-CPPene (SDZ EAA 494) | CAS-117414-74-1 | AKOS024456500 | HY-107718 | (R)-4-((E)-3-Phosphonoallyl)-2-piperazinecarboxylic acid | CHEBI:180900 | SCH

Storage

Room temperature,Desiccated

Shipped In

Normal

概要

Store at Room Temperature. Store under desiccating conditions. The product can be stored for up to 12 months.

仕様

同義語

d-cppene | D-Cpp-ene | (2R)-4-[(2E)-3-phosphonoprop-2-en-1-yl]piperazine-2-carboxylic acid | Midafotel | (R)-CPPene (SDZ EAA 494) | CAS-117414-74-1 | AKOS024456500 | HY-107718 | (R)-4-((E)-3-Phosphonoallyl)-2-piperazinecarboxylic acid | CHEBI:180900 | SCH

仕様と純度

≥98%

生化学的・生理学的メカニズム

Potent competitive NMDA antagonist. Centrally active following systemic administration. Also available in simple stock solutions add 1 ml of water to get an exact, ready-to-use concentration.

保管条件

Room temperature,Desiccated

入荷

Normal

アクションタイプ

ANTAGONIST

注

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.

純度

≥98%

名前と識別子

カノニカル・スマイル

C1CN(CC(N1)C(=O)O)CC=CP(=O)(O)O

IUPAC Name

(2R)-4-[(E)-3-phosphonoprop-2-enyl]piperazine-2-carboxylic acid

InChIKey

VZXMZMJSGLFKQI-ABVWVHJUSA-N

INCHI

1S/C8H15N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-16(13,14)15/h1,5,7,9H,2-4,6H2,(H,11,12)(H2,13,14,15)/b5-1+/t7-/m1/s1

異性体SMILES

C1CN(C[C@@H](N1)C(=O)O)C/C=C/P(=O)(O)O

分子量

250.19

Reaxy-Rn

7211955

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7211955&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
              • Level8 D-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 - Alpha amino acids
• Direct Parent: D-alpha-amino acids
• Alternative Parents: Piperazine carboxylic acids N-alkylpiperazines Organic phosphonic acids Trialkylamines Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organopnictogen compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: D-alpha-amino acid - Piperazine-2-carboxylic acid - N-alkylpiperazine - 1,4-diazinane - Piperazine - Organophosphonic acid - Organophosphonic acid derivative - Amino acid - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organophosphorus compound - Organic oxide - Hydrocarbon derivative - Amine - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as d-alpha-amino acids. These are alpha amino acids which have the D-configuration of the alpha-carbon atom.
• 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 in water to 100 mM
• 分子量: 250.190 g/mol
• XLogP3: -7.000
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 250.072 Da
• Monoisotopic Mass: 250.072 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 326.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 117414-74-1, the molecular formula is C8H15N2O5P, and the molecular weight is 250.19 g/mol. InChIKey VZXMZMJSGLFKQI-ABVWVHJUSA-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.