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

CAS: 117414-74-1 Cat. No.: C275335 Fórmula: C₈H₁₅N₂O₅P Peso molecular: 250.19

GRAU & PUREZA ≥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

Visão geral

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

Especificações

Sinónimos

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

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

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.

Condições de armazenamento de armazenamento

Room temperature,Desiccated

Enviado em

Normal

Tipo de ação

ANTAGONIST

Nota

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.

Pureza

≥98%

Nomes e identificadores

Sorrisos canónicos

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

SMILES isoméricas

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

Peso molecular

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
    • Classe 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
• Classe: 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
• Descrição: 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

Alvos associados (humanos)

ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

Discover Target: ALOX15

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

PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

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

Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Mus musculus (284745 Activities)

Explore this target

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

Rattus norvegicus (775804 Activities)

Explore this target

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Grin1 Glutamate NMDA receptor (6467 Activities)

Discover Target: Grin1

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in water to 100 mM
• Peso molecular: 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

Perguntas frequentes

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.