Nα-Benzoyl-DL-arginine β-naphthylamide hydrochloride - ≥95% , CAS No.913-04-2

CAS: 913-04-2 Cat. No.: B113812 Molecular Weight: 439.94 Beilstein Registry Number: 3823291 EC Number: 213-015-4 PubChem CID: 102503

GRADE & PURITY ≥95%

Synonyms

Nalpha-Benzoyl-DL-arginine-2-naphthylamide hydrochloride | DL-2-Benzamido-5-guanidino-N-2-naphthylvaleramide hydrochloride | DL-BANA | BANA | Bz-DL-Arg-betaNA HCl | Nα-Benzoyl-DL-arginine-2-naphthylamide hydrochloride | Bz-DL-Arg-βNA (hydrochloride)

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Nalpha-Benzoyl-DL-arginine-2-naphthylamide hydrochloride | DL-2-Benzamido-5-guanidino-N-2-naphthylvaleramide hydrochloride | DL-BANA | BANA | Bz-DL-Arg-betaNA HCl | Nα-Benzoyl-DL-arginine-2-naphthylamide hydrochloride | Bz-DL-Arg-βNA (hydrochloride)

Specifications & Purity

≥95%

Biochemical and Physiological Mechanisms

Nα-Benzoyl-DL-arginine β-naphthylamide hydrochloride (BANA) helps to determine the activities of cathepsin B and papain. BANA test is also useful in identifying the number of periodontal sites with periodontal pathogens. Presence of volatile sulfur compou

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC2=CC3=CC=CC=C3C=C2.Cl
• IUPAC Name: N-[5-(diaminomethylideneamino)-1-(naphthalen-2-ylamino)-1-oxopentan-2-yl]benzamide;hydrochloride
• InChIKey: BNGRKDJZQIGWQF-UHFFFAOYSA-N
• INCHI: 1S/C23H25N5O2.ClH/c24-23(25)26-14-6-11-20(28-21(29)17-8-2-1-3-9-17)22(30)27-19-13-12-16-7-4-5-10-18(16)15-19;/h1-5,7-10,12-13,15,20H,6,11,14H2,(H,27,30)(H,28,29)(H4,24,25,26);1H
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC2=CC3=CC=CC=C3C=C2.Cl
• WGK Germany: 3
• PubChem CID: 102503
• Molecular Weight: 439.94
• Beilstein: 3823291

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Benzamides
          • Level6 Hippuric acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Benzamides
• Direct Parent: Hippuric acids and derivatives
• Alternative Parents: N-acyl-alpha amino acids and derivatives Alpha amino acid amides Naphthalenes N-arylamides Benzoyl derivatives Fatty amides Secondary carboxylic acid amides Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Naphthalene - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - N-arylamide - Benzoyl - Fatty acyl - Fatty amide - Secondary carboxylic acid amide - Guanidine - Carboxamide group - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.
• 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Melt Point(°C): 196-199°C
• Molecular Weight: 439.900 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 439.178 Da
• Monoisotopic Mass: 439.178 Da
• Topological Polar Surface Area: 123.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 598.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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