Aspartame - ≥98% , CAS No.22839-47-0

CAS: 22839-47-0 Cat. No.: A113247 Fórmula: C₁₄H₁₈N₂O₅ Peso molecular: 294.3 Beilstein Registry Number: 2223850 Número CE: 245-261-3

GRAU & PUREZA ≥98%

Synonyms

N-L-α-Aspartyl-L-phenylalanine 1-Methyl Ester | H-Asp-Phe-OMe

Storage

Store at 2-8°C

Shipped In

Wet ice

Visão geral

Asp-Phe methyl ester is used for the preparation of Ad libitum Standard Chow, with ad libitum drinking water (animals control diet) containing Asp-Phe methyl ester. It is also used for the TFA diet preparation (TFA diet with ad lib drinking water contains Asp-Phe methyl ester

Especificações

Sinónimos

N-L-α-Aspartyl-L-phenylalanine 1-Methyl Ester | H-Asp-Phe-OMe

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

Asp-Phe methyl ester (Asp-Phe-OMe) is used as a synthetic sweeter, sugar substitute. Asp-Phe methyl ester is being studied for a variety of potential benefits as a nutrition supplement, such as the delay of osteoarthritis and modulation of rheumatoid fact

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Propriedades do produto

ALogP

-2.7

Nomes e identificadores

Pubchem Sid

488187825

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187825

Sorrisos canónicos

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N

IUPAC Name

(3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid

InChIKey

IAOZJIPTCAWIRG-QWRGUYRKSA-N

INCHI

1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1

SMILES isoméricas

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)N

WGK Alemanha

2

RTECS

WM3407000

Peso molecular

294.3

Beilstein

2223850

Reaxy-Rn

4707041

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4707041&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Not available
• Direct Parent: Peptides
• Alternative Parents: Phenylalanine and derivatives Alpha amino acid esters N-acyl-alpha amino acids and derivatives Beta amino acids and derivatives Amphetamines and derivatives Fatty acid esters Dicarboxylic acids and derivatives Methyl esters Amino acids Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Carboximidic acids Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds Monoalkylamines
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha peptide - Phenylalanine or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Beta amino acid or derivatives - Alpha-amino acid or derivatives - Amphetamine or derivatives - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Dicarboxylic acid or derivatives - Methyl ester - Amino acid or derivatives - Amino acid - Carboxylic acid ester - Organic 1,3-dipolar compound - Carboximidic acid - Carboximidic acid derivative - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid - Organopnictogen compound - Amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Primary amine - Organooxygen compound - Primary aliphatic amine - Organonitrogen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
• External Descriptors: dipeptide - methyl ester - carboxylic acid

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)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

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

Homo sapiens (32628 Activities)

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

SETD7 Tchem Histone-lysine N-methyltransferase SETD7 (390 Activities)

Discover Target: SETD7

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

KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

Discover Target: KDM4A

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

ABCB11 Tchem Bile salt export pump (2311 Activities)

Discover Target: ABCB11

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GMNN Tbio Geminin (128009 Activities)

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TAS1R2 Tbio Taste receptor type 1 member 2 (15 Activities)

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TAS1R3 Tbio Taste receptor type 1 member 3 (10 Activities)

Discover Target: TAS1R3

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SLC22A8 Tclin Solute carrier family 22 member 8 (241 Activities)

Discover Target: SLC22A8

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

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

SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

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TAS2R31 Tchem Taste receptor type 2 member 31 (86 Activities)

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SLC22A11 Tclin Solute carrier family 22 member 11 (82 Activities)

Discover Target: SLC22A11

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

TAS1R3 Tbio T1R1/T1R3 (473 Activities)

Discover Target: TAS1R3

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

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Plasmodium falciparum (966862 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Slc22a6 Solute carrier family 22 member 6 (141 Activities)

Discover Target: Slc22a6

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 formic acid, dimethyl sulfoxide. Sparingly soluble in water and ethanol.
• Rotação específica [α]: 14.5 ° (C=4, 15mol/L Formic Acid)
• Ponto de fusão (°C): 248-250°C
• Peso molecular: 294.300 g/mol
• XLogP3: -2.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 294.122 Da
• Monoisotopic Mass: 294.122 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 380.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

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 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. 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 22839-47-0, the molecular formula is C14H18N2O5, and the molecular weight is 294.3 g/mol. InChIKey IAOZJIPTCAWIRG-QWRGUYRKSA-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.