N-Benzoyl-L-tyrosine ethyl ester - ≥98% , CAS No.3483-82-7

CAS: 3483-82-7 Cat. No.: B105984 Molecular Weight: 313.35 Beilstein Registry Number: 2223819 EC Number: 222-469-2

GRADE & PURITY ≥98%

Synonyms

Ethyl N-benzoyl-L-tyrosinate | M03119 | DTXSID60883977 | Piketoprofen (INN) | N-Benzoyl-L-tyrosine ethyl ester | Urea, N-(2-chloroethyl)-N'-(2-hydroxyethyl)-N-nitroso- | AC8694 | AM82325 | BDBM50100038 | Benzoyltyrosine ethyl ester | N-Benzoyl-L-tyrosine

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

N-Benzoyl-L-tyrosine ethyl ester has been used for measuring chymotrypsin activity.

N-Benzoyl-L-tyrosine ethyl ester (BTEE) is a substrate which is completely resistant to trypsin and is required for the assay of chymotrypsin.

Specifications

Synonyms

Ethyl N-benzoyl-L-tyrosinate | M03119 | DTXSID60883977 | Piketoprofen (INN) | N-Benzoyl-L-tyrosine ethyl ester | Urea, N-(2-chloroethyl)-N'-(2-hydroxyethyl)-N-nitroso- | AC8694 | AM82325 | BDBM50100038 | Benzoyltyrosine ethyl ester | N-Benzoyl-L-tyrosine

Specifications & Purity

≥98%

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

≥98%

Names and Identifiers

• Pubchem Sid: 504755136
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755136
• Canonical Smiles: CCOC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2=CC=CC=C2
• IUPAC Name: ethyl (2S)-2-benzamido-3-(4-hydroxyphenyl)propanoate
• InChIKey: SRLROPAFMUDDRC-INIZCTEOSA-N
• INCHI: 1S/C18H19NO4/c1-2-23-18(22)16(12-13-8-10-15(20)11-9-13)19-17(21)14-6-4-3-5-7-14/h3-11,16,20H,2,12H2,1H3,(H,19,21)/t16-/m0/s1
• Isomeric SMILES: CCOC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C2=CC=CC=C2
• WGK Germany: 3
• Molecular Weight: 313.35
• Beilstein: 2223819
• Reaxy-Rn: 2223818
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2223818&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 Alpha amino acid esters Amphetamines and derivatives Fatty acid esters 1-hydroxy-2-unsubstituted benzenoids Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboximidic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tyrosine or derivatives - Phenylalanine or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Amphetamine or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Carboxylic acid ester - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidic acid - Carboximidic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - 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

Associated Targets(Human)

CCR3 Tchem C-C chemokine receptor type 3 (1666 Activities)

Discover Target: CCR3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLK Tbio DNA polymerase kappa (8653 Activities)

Discover Target: POLK

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility in Methanol almost transparency
• Specific Rotation[α]: -29 ° (C=1, EtOH)
• Melt Point(°C): 118-121°C
• Molecular Weight: 313.300 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 313.131 Da
• Monoisotopic Mass: 313.131 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 384.000
• 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

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4. Meng Wang, Jun Xing, Yu-Tang Sun, Ling-Xiang Guo, Bao-Ping Lin, Hong Yang.  (2018)  Thiol–ene photoimmobilization of chymotrypsin on polysiloxane gels for enzymatic peptide synthesis.  RSC Advances,  8  (22): (11843-11849).  [PMID:35539381] [10.1039/C7RA13320K]

5. Hao-Ze Li, Hai-Long Qian, Shu-Ting Xu, Cheng Yang, Xiu-Ping Yan.  (2024)  Tuning the planarity of molecularly imprinted covalent organic frameworks for selective extraction of ochratoxin A in alcohol samples.  FOOD CHEMISTRY,      [PMID:38692237] [10.1016/j.foodchem.2024.139427]

6. Deyang Li, Xue Tian, Mengyao He, Chunyu Ding, Dongming Qi, Yangyi Sun.  (2025)  Multifunctional compatible waterborne polyurethane microfiber leather with enhanced antibacterial properties via low-content Ag-decorated lignin-hybrid hollow silica nanoparticles.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:41033517] [10.1016/j.ijbiomac.2025.147951]

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