Philanthotoxin-7,4 (PhTx-74) - ≥98% , CAS No.401601-12-5

CAS: 401601-12-5 Cat. No.: P275058 Fórmula: C₂₄H₄₂N₄O₃.₂HCl Peso molecular: 507.54 PubChem CID: 46213501

GRADE & PURITY ≥98%

Synonyms

Philanthotoxin 74 | Benzenepropanamide, N-[7-[(4-aminobutyl)amino]heptyl]-4-hydroxy-alpha-[(1-oxobutyl)amino]-, hydrochloride (1:2), (alphaS)- | PhTx 74 dihydrochloride | Benzenepropanamide, N-[7-[(4-aminobutyl)amino]heptyl]-4-hydroxy-a-[(1-oxobutyl)amino

Storage

Room temperature,Desiccated

Shipped In

Normal

Descripción general

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

Specifications

Sinónimos

Philanthotoxin 74 | Benzenepropanamide, N-[7-[(4-aminobutyl)amino]heptyl]-4-hydroxy-alpha-[(1-oxobutyl)amino]-, hydrochloride (1:2), (alphaS)- | PhTx 74 dihydrochloride | Benzenepropanamide, N-[7-[(4-aminobutyl)amino]heptyl]-4-hydroxy-a-[(1-oxobutyl)amino

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Selective, calcium-permeable AMPA receptor antagonist. Inhibits GluA1/A2 (formerly GluR1/2), with little activity at GluA2/A3 (formerly GluR2/3).

Condiciones de almacenamiento de almacenamiento

Room temperature,Desiccated

Enviado en

Normal

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%

Nombres e identificadores

Sonrisas canónicas

CCCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCCCCCCCNCCCCN.Cl.Cl

IUPAC Name

N-[(2S)-1-[7-(4-aminobutylamino)heptylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide;dihydrochloride

InChIKey

HWTJQQMIKVJWLH-IKXQUJFKSA-N

INCHI

1S/C24H42N4O3.2ClH/c1-2-10-23(30)28-22(19-20-11-13-21(29)14-12-20)24(31)27-18-8-5-3-4-7-16-26-17-9-6-15-25;;/h11-14,22,26,29H,2-10,15-19,25H2,1H3,(H,27,31)(H,28,30);2*1H/t22-;;/m0../s1

Isómeros SMILES

CCCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCCCCCCCNCCCCN.Cl.Cl

PubChem CID

46213501

Peso molecular

507.54

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Tyrosine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Tyrosine and derivatives
• Alternative Parents: Phenylalanine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Amphetamines and derivatives 1-hydroxy-2-unsubstituted benzenoids N-acyl amines Secondary carboxylic acid amides Dialkylamines Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tyrosine or derivatives - Phenylalanine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Amphetamine or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - N-acyl-amine - Carboxamide group - Secondary carboxylic acid amide - Secondary aliphatic amine - Secondary amine - Primary amine - Amine - Primary aliphatic amine - Hydrochloride - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tyrosine and derivatives. These are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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 water to 100 mM and in DMSO to 100 mM
• Peso molecular: 507.500 g/mol
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 18
• Exact Mass: 506.279 Da
• Monoisotopic Mass: 506.279 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 468.000
• 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: 3

XLogP3

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 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 401601-12-5, the molecular formula is C24H42N4O3.2HCl, and the molecular weight is 507.54 g/mol. InChIKey HWTJQQMIKVJWLH-IKXQUJFKSA-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.