N-benciloxicarbonil-L-tirosina - ≥98% , CAS No.1164-16-5

CAS: 1164-16-5 Cat. No.: Z110988 Peso molecular: 315.32 Beilstein Registry Number: 2169918 Número EC: 214-609-6

GRADE & PURITY ≥98%

Synonyms

AS-12895 | BDBM50043803 | HY-W007931 | L-Tyrosine, N-[(phenylmethoxy)carbonyl]- | SCHEMBL221300 | (S)-2-(BENZYLOXYCARBONYLAMINO)-3-(4-HYDROXYPHENYL)PROPANOIC ACID | N-Benzyloxycarbonyl-L-tyrosine | J-300279 | N-Cbz-L-tyrosine | Z-Tyr | (S)-2-(((Benzyloxy)

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Specifications

Sinónimos

AS-12895 | BDBM50043803 | HY-W007931 | L-Tyrosine, N-[(phenylmethoxy)carbonyl]- | SCHEMBL221300 | (S)-2-(BENZYLOXYCARBONYLAMINO)-3-(4-HYDROXYPHENYL)PROPANOIC ACID | N-Benzyloxycarbonyl-L-tyrosine | J-300279 | N-Cbz-L-tyrosine | Z-Tyr | (S)-2-(((Benzyloxy)

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504759958
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759958
• Sonrisas canónicas: C1=CC=C(C=C1)COC(=O)NC(CC2=CC=C(C=C2)O)C(=O)O
• IUPAC Name: (2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
• InChIKey: MCRMUCXATQAAMN-HNNXBMFYSA-N
• INCHI: 1S/C17H17NO5/c19-14-8-6-12(7-9-14)10-15(16(20)21)18-17(22)23-11-13-4-2-1-3-5-13/h1-9,15,19H,10-11H2,(H,18,22)(H,20,21)/t15-/m0/s1
• Isómeros SMILES: C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)O
• WGK Alemania: 3
• Peso molecular: 315.32
• Beilstein: 2169918
• Reaxy-Rn: 2820672
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2820672&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 Phenylpropanoic acids Benzyloxycarbonyls Amphetamines and derivatives 1-hydroxy-2-unsubstituted benzenoids Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tyrosine or derivatives - Phenylalanine or derivatives - 3-phenylpropanoic-acid - Benzyloxycarbonyl - Amphetamine or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in methanol
• Rotación específica [α]: 10 ° (C=1, AcOH)
• Punto de fusión (°C): 95°C
• Peso molecular: 315.320 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 315.111 Da
• Monoisotopic Mass: 315.111 Da
• Topological Polar Surface Area: 95.900 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 386.000
• 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. You Zhang, Wenzhong Ma, Jing Zhong, Zhou Zhou, Haicun Yang, Zheng Cao, Shuo Wang.  (2023)  Rapid shape recovery and remodeling by tuning the topology of polycaprolactone-based polymer networks.  POLYMER,      [PMID:] [10.1016/j.polymer.2023.126641]

2. Dedai Lu, Lili Yu, Zhengpeng Chen, Mingshu Chen, Ziqiang Lei, Hongyun Guo, Xingdong Wang, Yongdong Zhang, Tingting Xu, Haijun Wang, Xing Zhou, Shenghong Ju, Gaojun Teng.  (2022)  A Simple and Efficient Embolization-Combined Therapy for Solid Tumors by Smart Poly(amino acid)s Nanocomposites.  ACS Applied Bio Materials,      [PMID:35135191] [10.1021/acsabm.1c01106]