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

CAS: 3483-82-7 Cat. No.: B105984 Peso molecular: 313.35 Beilstein Registry Number: 2223819 Número EC: 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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504755136
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755136
• Sonrisas canónicas: 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
• Isómeros SMILES: CCOC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C2=CC=CC=C2
• WGK Alemania: 3
• Peso molecular: 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
    • Clase 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
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

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

Objetivos asociados (no humanos)

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility in Methanol almost transparency
• Rotación específica [α]: -29 ° (C=1, EtOH)
• Punto de fusión (°C): 118-121°C
• Peso molecular: 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

Referencias

1. Zhao Xu-dong, Geng Yi-shu, Hu Tian-yi, Li Wen-xuan, Liang Ying-ying, Hao De-jun.  (2022)  Comparing the Performance of Hyphantria cunea (Lepidoptera: Arctiidae) on Artificial and Natural Diets: Feasibility of Mass-Rearing on Artificial Diets.  JOURNAL OF ECONOMIC ENTOMOLOGY,  116  (1): (181-191).  [PMID:36412250] [10.1093/jee/toac176]

2. Xinyao Feng, Fangshen Li, Liangliang Zhang, Wenmo Liu, Xupu Wang, Rui Zhu, Zhen-An Qiao, Bin Yu, Xianghui Yu.  (2022)  TRAIL-modified, doxorubicin-embedded periodic mesoporous organosilica nanoparticles for targeted drug delivery and efficient antitumor immunotherapy.  Acta Biomaterialia,      [PMID:35259519] [10.1016/j.actbio.2022.03.001]

3. Wenquan Huang, Yuehua Deng, Liping Ye, Qiuling Xie, Yanbin Jiang.  (2021)  Enhancing hemocompatibility and the performance of Au@silica nanoparticles by coating with cRGD functionalized zein.  Materials Science & Engineering C-Materials for Biological Applications,      [PMID:33965097] [10.1016/j.msec.2021.112064]

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]

7. Biao-Qi Chen, Yu-Hong Shi, Yang Zhang, Da-Gui Zhang, Xiao-Chang Lu, Qin-Xi Xu, Yu-Jing Pan, Ranjith Kumar Kankala, Shi-Bin Wang, Ai-Zheng Chen.  (2025)  Four-Pronged Nanomotor Strategy Achieves Efficient TNBC Treatment via Synergistic Chemo-Photothermal-Immune Therapy.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.202504621]

8. Yi Liu, Yu Xie, Xingyu Shen, Shihui Wang, Yi Xiong, Guimin Zhang.  (2025)  Multiple Strategies for Recombinant Expression of Human Chymotrypsinogen C in Pichia Pastoris.  Food Bioengineering,      [PMID:] [10.1002/fbe2.70034]

9. Liu Chang, Kong Jiatian, Zhang Xuelin, Liu Yulong, Wu Jianfeng, Tian Li.  (2026)  A packed-bed immobilized enzyme microreactor with high-efficiency enzyme assay for rapid detection of nerve agent exposure.  Microfluidics and Nanofluidics,  30  (3): (28).  [PMID:] [10.1007/s10404-026-02884-1]