L-Carnosine - Moligand™, ≥98% , CAS No.305-84-0

CAS: 305-84-0 Cat. No.: C106843 Fórmula: C₉H₁₄N₄O₃ Peso molecular: 226.23 Beilstein Registry Number: 87671 Número EC: 206-169-9

GRADE & PURITY Moligand™, ≥98%

Synonyms

beta-Alanyl-L-histidine | H-Beta-Ala-His-OH | L-Ignotine | β-Alanyl-L-histidine

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Carnosine is an antioxidant. Inhibits soluble guanylyl cyclase (sGC) by interacting with the heme iron to form a chelate complex.
An antioxidant soluble guanylyl cyclase inhibitor.

Specifications

Sinónimos

beta-Alanyl-L-histidine | H-Beta-Ala-His-OH | L-Ignotine | β-Alanyl-L-histidine

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

L-Carosine is a dipeptide found at millimolar concentration in brain, muscle and the lens of the eye. In model systems it is a potent antioxidant that scavenges oxygen free radicals and transition metal ions. It blocks protein-protein and protein-DNA cros

Condiciones de almacenamiento de almacenamiento

Store at -20°C,Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

528765217

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528765217

Sonrisas canónicas

C1=C(NC=N1)CC(C(=O)O)NC(=O)CCN

IUPAC Name

(2S)-2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid

InChIKey

CQOVPNPJLQNMDC-ZETCQYMHSA-N

INCHI

1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1

Isómeros SMILES

C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)CCN

WGK Alemania

2

RTECS

MS3080000

CAS alternativo

305-84-0,1370422-07-3

Términos de entrada MeSH

beta Alanylhistidine;beta-Alanylhistidine;Carnosine;Carnosine Hydrochloride;Carnosine, (D-His)-Isomer;Hydrochloride, Carnosine;L Carnosine;L-Carnosine

Peso molecular

226.23

Beilstein

87671

Reaxy-Rn

535203

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=535203&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Peptidomimetics
      • Subclass Hybrid peptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Peptidomimetics
• Subclass: Hybrid peptides
• Intermediate Tree Nodes: Not available
• Direct Parent: Hybrid peptides
• Alternative Parents: Histidine and derivatives N-acyl-L-alpha-amino acids Beta amino acids and derivatives Imidazolyl carboxylic acids and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Hybrid peptide - Histidine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - Beta amino acid or derivatives - Alpha-amino acid or derivatives - Imidazolyl carboxylic acid derivative - Azole - Heteroaromatic compound - Imidazole - Amino acid - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organopnictogen compound - Primary aliphatic amine - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary amine - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond.
• External Descriptors: dipeptide

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

Objetivos asociados (humanos)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

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

CA1 Tclin Carbonic anhydrase I (13240 Activities)

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

SLC15A1 Tchem Oligopeptide transporter small intestine isoform (922 Activities)

Discover Target: SLC15A1

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

APP Tclin Amyloid-beta A4 protein (8510 Activities)

Discover Target: APP

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

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

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

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

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

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

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PBMC (10003 Activities)

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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

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

SLC15A2 Tchem Solute carrier family 15 member 2 (186 Activities)

Discover Target: SLC15A2

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

MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

Discover Target: MEN1

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

IL15 Tchem IL15-IL15 receptor (108 Activities)

Discover Target: IL15

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

Objetivos asociados (no humanos)

CA4 Carbonic anhydrase IV (1713 Activities)

Discover Target: CA4

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

Hdac6 Histone deacetylase 6 (222 Activities)

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Rattus norvegicus (775804 Activities)

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Slc15a2 Oligopeptide transporter, kidney isoform (114 Activities)

Discover Target: Slc15a2

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Serum (58 Activities)

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Slc22a5 Solute carrier family 22 member 5 (44 Activities)

Discover Target: Slc22a5

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

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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Slc15a1 Solute carrier family 15 member 1 (124 Activities)

Discover Target: Slc15a1

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Thoracic aorta (838 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in 80% acetic acid (10 mg/ml), and water (1:3.1).
• Sensibilidad: Hygroscopic;air sensitive
• Rotación específica [α]: 21 ° (C=2, H2O)
• Punto de fusión (°C): 253°C
• Peso molecular: 226.230 g/mol
• XLogP3: -4.000
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 226.107 Da
• Monoisotopic Mass: 226.107 Da
• Topological Polar Surface Area: 121.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 259.000
• 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