BAEE - ≥98% , CAS No.2645-08-1

CAS: 2645-08-1 Cat. No.: B105947 Peso molecular: 342.82 Beilstein Registry Number: 3781694 Número EC: 220-157-0 PubChem CID: 2723604

GRADE & PURITY ≥98%

Synonyms

PD069702 | Nalpha-Benzoyl-L-arginine ethyl ester hydrochloride, trypsin substrate | ethyl (2S)-2-benzamido-5-(diaminomethylideneamino)pentanoate;hydrochloride | N- alpha -Benzoyl-L-arginine ethyl ester hydrochloride | BAEE HCl | Bz-Arg-OEt.HCl | L-Arginin

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Nα-Benzoyl-L-arginine ethyl ester hydrochloride is a substrate for trypsin. It is a nonprotein substrate used in spectroscopic assays.

N α-Benzoyl-L-arginine ethyl ester hydrochloride has been used as a substrate:

• in peptidyl arginine deiminase (PPAD) assay in P. gingivalis vesicles

• for assaying proteolytic activity of enzymatic extracts of papaya plant parts

• in trypsin activity assay of the tail tendon fascicles from rat

Specifications

Sinónimos

PD069702 | Nalpha-Benzoyl-L-arginine ethyl ester hydrochloride, trypsin substrate | ethyl (2S)-2-benzamido-5-(diaminomethylideneamino)pentanoate;hydrochloride | N- alpha -Benzoyl-L-arginine ethyl ester hydrochloride | BAEE HCl | Bz-Arg-OEt.HCl | L-Arginin

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCOC(=O)C(CCCN=C(N)N)NC(=O)C1=CC=CC=C1.Cl
• IUPAC Name: ethyl (2S)-2-benzamido-5-(diaminomethylideneamino)pentanoate;hydrochloride
• InChIKey: HIXDELXKSSLIKB-YDALLXLXSA-N
• INCHI: 1S/C15H22N4O3.ClH/c1-2-22-14(21)12(9-6-10-18-15(16)17)19-13(20)11-7-4-3-5-8-11;/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,19,20)(H4,16,17,18);1H/t12-;/m0./s1
• Isómeros SMILES: CCOC(=O)[C@H](CCCN=C(N)N)NC(=O)C1=CC=CC=C1.Cl
• WGK Alemania: 3
• PubChem CID: 2723604
• Peso molecular: 342.82
• Beilstein: 3781694
• Reaxy-Rn: 3781694

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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 esters Benzoyl derivatives Fatty acid esters Secondary carboxylic acid amides Guanidines Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboximidamides Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid ester - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzoyl - Fatty acid ester - Fatty acyl - Carboxamide group - Carboxylic acid ester - Guanidine - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboximidamide - Organic oxygen compound - Hydrochloride - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Rotación específica [α]: -17 ° (C=2, H2O)
• Punto de fusión (°C): 129-136°C
• Peso molecular: 342.820 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 342.146 Da
• Monoisotopic Mass: 342.146 Da
• Topological Polar Surface Area: 120.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 388.000
• 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: 2

XLogP3

Referencias

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