Novokinin - ≥98% , CAS No.358738-77-9

CAS: 358738-77-9 Cat. No.: N276478 Fórmula: C39H61N11O7 Peso molecular: 795.98 PubChem CID: 9987879

GRADE & PURITY ≥98%

Synonyms

L-arginyl-L-prolyl-L-leucyl-L-lysyl-L-prolyl-L-tryptophan | L-Tryptophan, L-arginyl-L-prolyl-L-leucyl-L-lysyl-L-prolyl- | DTXSID60433653 | (2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-c

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Descripción general

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Sinónimos

L-arginyl-L-prolyl-L-leucyl-L-lysyl-L-prolyl-L-tryptophan | L-Tryptophan, L-arginyl-L-prolyl-L-leucyl-L-lysyl-L-prolyl- | DTXSID60433653 | (2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-c

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Angiotensin AT 2 receptor agonist (K i = 7 μM). Antagonises the antinociceptive effect of morphine, shows antihypertensive, vasorelaxing and anorexigenic effects in vivo. Orally active. Shows central effects.

Condiciones de almacenamiento de almacenamiento

Store at -20°C,Desiccated

Enviado en

Ice chest + Ice pads

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

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 week. 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%

Nombres e identificadores

Sonrisas canónicas

CC(C)CC(C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)NC(=O)C4CCCN4C(=O)C(CCCN=C(N)N)N

IUPAC Name

(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid

InChIKey

WCJSVACAALWGRF-LQPYQXOBSA-N

INCHI

1S/C39H61N11O7/c1-23(2)20-29(47-34(52)31-14-8-18-49(31)36(54)26(41)11-7-17-44-39(42)43)33(51)46-28(13-5-6-16-40)37(55)50-19-9-15-32(50)35(53)48-30(38(56)57)21-24-22-45-27-12-4-3-10-25(24)27/h3-4,10,12,22-23,26,28-32,45H,5-9,11,13-21,40-41H2,1-2H3,(H,46,51)(H,47,52)(H,48,53)(H,56,57)(H4,42,43,44)/t26-,28-,29-,30-,31-,32-/m0/s1

Isómeros SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCN=C(N)N)N

PubChem CID

9987879

Peso molecular

795.98

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Oligopeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Oligopeptides
• Alternative Parents: Leucine and derivatives Proline and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Indolyl carboxylic acids and derivatives 3-alkylindoles Pyrrolidinecarboxamides N-acylpyrrolidines Substituted pyrroles N-acyl amines Benzenoids Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Guanidines Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboximidamides Carboxylic acids Carbonyl compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-oligopeptide - Leucine or derivatives - Proline or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Indolyl carboxylic acid derivative - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Benzenoid - Substituted pyrrole - Fatty amide - N-acyl-amine - Fatty acyl - Tertiary carboxylic acid amide - Pyrrolidine - Pyrrole - Heteroaromatic compound - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Guanidine - Amino acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboximidamide - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Primary amine - Organic oxygen compound - Amine - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in 4:1 water/acetonitrile to 1 mg/ml
• Peso molecular: 796.000 g/mol
• XLogP3: -2.100
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 21
• Exact Mass: 795.476 Da
• Monoisotopic Mass: 795.476 Da
• Topological Polar Surface Area: 297.000 Ų
• Heavy Atom Count: 57
• Formal Charge: 0
• Complexity: 1430.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• 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

Preguntas frecuentes

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 ?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 358738-77-9, the molecular formula is C39H61N11O7, and the molecular weight is 795.98 g/mol. InChIKey WCJSVACAALWGRF-LQPYQXOBSA-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.