L-Arginine p-nitroanilide dihydrochloride - Moligand™,≥98% , CAS No.40127-11-5

CAS: 40127-11-5 Cat. No.: A113145 Molecular Weight: 367.23 PubChem CID: 22811858

GRADE & PURITY Moligand™, ≥98%

Synonyms

L-Arginine p-nitroanilide DiHCl | AMY41381 | MFCD00058249 | (S)-2-AMINO-5-GUANIDINO-N-(4-NITROPHENYL)PENTANAMIDE 2HCL | N-(4-Nitrophenyl)argininamide dihydrochloride | N~5~-(Diaminomethylidene)-N-(4-nitrophenyl)-L-ornithinamide--hydrogen chloride (1/2) |

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

L-Arginine p-nitroanilide dihydrochloride is a chromogenic substrate for cathepsin H and aminopeptidase.

Specifications

Synonyms

L-Arginine p-nitroanilide DiHCl | AMY41381 | MFCD00058249 | (S)-2-AMINO-5-GUANIDINO-N-(4-NITROPHENYL)PENTANAMIDE 2HCL | N-(4-Nitrophenyl)argininamide dihydrochloride | N~5~-(Diaminomethylidene)-N-(4-nitrophenyl)-L-ornithinamide--hydrogen chloride (1/2) |

Specifications & Purity

Moligand™, ≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Grade

Moligand™

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488200228
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200228
• Canonical Smiles: C1=CC(=CC=C1NC(=O)C(CCCN=C(N)N)N)[N+](=O)[O-].Cl.Cl
• IUPAC Name: (2S)-2-amino-5-(diaminomethylideneamino)-N-(4-nitrophenyl)pentanamide;dihydrochloride
• InChIKey: FBVMDLFQVOFFHS-XRIOVQLTSA-N
• INCHI: 1S/C12H18N6O3.2ClH/c13-10(2-1-7-16-12(14)15)11(19)17-8-3-5-9(6-4-8)18(20)21;;/h3-6,10H,1-2,7,13H2,(H,17,19)(H4,14,15,16);2*1H/t10-;;/m0../s1
• Isomeric SMILES: C1=CC(=CC=C1NC(=O)[C@H](CCCN=C(N)N)N)[N+](=O)[O-].Cl.Cl
• WGK Germany: 3
• PubChem CID: 22811858
• Molecular Weight: 367.23

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 Alpha amino acid amides

• 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: Alpha amino acid amides
• Alternative Parents: Anilides Nitrobenzenes N-arylamides Nitroaromatic compounds Fatty amides Secondary carboxylic acid amides Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Organic oxoazanium compounds Organic zwitterions Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid amide - Anilide - Nitrobenzene - Nitroaromatic compound - N-arylamide - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Carboxamide group - Organic nitro compound - Guanidine - C-nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic salt - Primary aliphatic amine - Hydrochloride - Hydrocarbon derivative - Organic oxide - Primary amine - Organic oxygen compound - Carbonyl group - Organic zwitterion - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• 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): 222°C
• Molecular Weight: 367.230 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 366.097 Da
• Monoisotopic Mass: 366.097 Da
• Topological Polar Surface Area: 165.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 383.000
• 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

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]