N-Benzoyl-L-tyrosine p-nitroanilide - ≥95% , CAS No.6154-45-6

CAS: 6154-45-6 Cat. No.: N351752 Molecular Weight: 405.4

GRADE & PURITY ≥95%

Synonyms

DTXSID60977108 | N-[1-(4-Hydroxybenzyl)-2-(4-nitroanilino)-2-oxoethyl]benzamide # | (S)-alpha-(Benzoylamino)-4-hydroxy-N-(4-nitrophenyl)benzenepropanamide | Benzoyl-L-tyrosine p-nitroanilide | Benzoyltyrosine 4-nitroanilide | (S)-N-(3-(4-Hydroxyphenyl)-1-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Product Application:

N-Benzoyl-L-tyrosine p-nitroanilide (BTPNA) is used as a substrate to identify, differentiate and characterize serine carboxypeptidase(s) and various proteases.

Specifications

Synonyms

DTXSID60977108 | N-[1-(4-Hydroxybenzyl)-2-(4-nitroanilino)-2-oxoethyl]benzamide # | (S)-alpha-(Benzoylamino)-4-hydroxy-N-(4-nitrophenyl)benzenepropanamide | Benzoyl-L-tyrosine p-nitroanilide | Benzoyltyrosine 4-nitroanilide | (S)-N-(3-(4-Hydroxyphenyl)-1-

Specifications & Purity

≥95%

Storage

Store at -20°C

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

• Pubchem Sid: 504757749
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757749
• Canonical Smiles: C1=CC=C(C=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]
• IUPAC Name: N-[(2S)-3-(4-hydroxyphenyl)-1-(4-nitroanilino)-1-oxopropan-2-yl]benzamide
• InChIKey: CJERUMAUMMIPRF-FQEVSTJZSA-N
• INCHI: 1S/C22H19N3O5/c26-19-12-6-15(7-13-19)14-20(24-21(27)16-4-2-1-3-5-16)22(28)23-17-8-10-18(11-9-17)25(29)30/h1-13,20,26H,14H2,(H,23,28)(H,24,27)/t20-/m0/s1
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]
• Molecular Weight: 405.4
• Reaxy-Rn: 19177415
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19177415&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class 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
• Class: 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 Hippuric acids and derivatives Alpha amino acid amides Amphetamines and derivatives Nitrobenzenes Anilides Nitroaromatic compounds N-arylamides Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Fatty amides Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic zwitterions Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tyrosine or derivatives - Phenylalanine or derivatives - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Amphetamine or derivatives - Nitrobenzene - Benzamide - Benzoic acid or derivatives - Anilide - N-arylamide - Nitroaromatic compound - Benzoyl - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Fatty amide - Fatty acyl - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organic zwitterion - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aromatic homomonocyclic compound
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in acetone
• Melt Point(°C): 235-237° C
• Molecular Weight: 405.400 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 405.132 Da
• Monoisotopic Mass: 405.132 Da
• Topological Polar Surface Area: 124.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 586.000
• 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