H-L-Phe-pNA - ≥97% , CAS No.2360-97-6

CAS: 2360-97-6 Cat. No.: H336253 Molecular Weight: 285.30

GRADE & PURITY ≥97%

Synonyms

GJHIOWXZFDVUKQ-AWEZNQCLSA-N | (2S)-2-amino-N-(4-nitrophenyl)-3-phenylpropanamide | Benzenepropanamide, alpha-amino-N-(4-nitrophenyl)-, (alphaS)- | H-Phe-pNA | MFCD00038110 | L-Phenylalanine-p-nitroanilide | (S)-2-Amino-N-(4-nitrophenyl)-3-phenylpropanamid

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

GJHIOWXZFDVUKQ-AWEZNQCLSA-N | (2S)-2-amino-N-(4-nitrophenyl)-3-phenylpropanamide | Benzenepropanamide, alpha-amino-N-(4-nitrophenyl)-, (alphaS)- | H-Phe-pNA | MFCD00038110 | L-Phenylalanine-p-nitroanilide | (S)-2-Amino-N-(4-nitrophenyl)-3-phenylpropanamid

Specifications & Purity

≥97%

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

≥97%

Names and Identifiers

• Pubchem Sid: 504764754
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764754
• Canonical Smiles: C1=CC=C(C=C1)CC(C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])N
• IUPAC Name: (2S)-2-amino-N-(4-nitrophenyl)-3-phenylpropanamide
• InChIKey: GJHIOWXZFDVUKQ-AWEZNQCLSA-N
• INCHI: 1S/C15H15N3O3/c16-14(10-11-4-2-1-3-5-11)15(19)17-12-6-8-13(9-7-12)18(20)21/h1-9,14H,10,16H2,(H,17,19)/t14-/m0/s1
• Isomeric SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])N
• Molecular Weight: 285.30
• Reaxy-Rn: 2222765
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2222765&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 Phenylalanine 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: Phenylalanine and derivatives
• Alternative Parents: Alpha amino acid amides Amphetamines and derivatives Anilides Nitrobenzenes Nitroaromatic compounds N-arylamides Aralkylamines Fatty amides Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Carbonyl compounds Organic zwitterions Organic salts Hydrocarbon derivatives Monoalkylamines
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalanine or derivatives - Alpha-amino acid amide - Amphetamine or derivatives - Nitrobenzene - Anilide - Nitroaromatic compound - N-arylamide - Aralkylamine - Monocyclic benzene moiety - Fatty amide - Benzenoid - Fatty acyl - Organic nitro compound - Carboxamide group - Secondary carboxylic acid amide - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Primary amine - Primary aliphatic amine - Amine - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic zwitterion - Organic salt - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine 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

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: n20D~1.66 (Predicted)
• Molecular Weight: 285.300 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 285.111 Da
• Monoisotopic Mass: 285.111 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 356.000
• 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

References

1. Mingyue Zhang, Jiani Pu, Yushan Cui, Jianan Sun, Hao Dong, Xiangzhao Mao.  (2024)  In Silico Enzymolysis-Guided Mining of Aminopeptidases with Molecular Insights into Their Substrate Specificity Mechanism.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:39635764] [10.1021/acs.jafc.4c07713]