L-Tyrosine amide - ≥97% , CAS No.4985-46-0

CAS: 4985-46-0 Cat. No.: L137615 Molecular Weight: 180.2 EC Number: 881-476-4

GRADE & PURITY ≥97%

Synonyms

tyrosine imine | EN300-881789 | Q27094319 | UNII-05LU01CS4T | DTXSID70198120 | FT-0622489 | SCHEMBL358908 | Tyrosinamide | TYROSINAMIDE, L- | Z760046828 | L-Tyr-NH2 | InChI=1/C8H8ClNO/c1-6(11)10-8-5-3-2-4-7(8)9/h2-5H,1H3,(H,10,11) | AKOS005067895 | H-Tyr-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

tyrosine imine | EN300-881789 | Q27094319 | UNII-05LU01CS4T | DTXSID70198120 | FT-0622489 | SCHEMBL358908 | Tyrosinamide | TYROSINAMIDE, L- | Z760046828 | L-Tyr-NH2 | InChI=1/C8H8ClNO/c1-6(11)10-8-5-3-2-4-7(8)9/h2-5H, 1H3, (H, 10, 11) | AKOS005067895 | H-Tyr-

Specifications & Purity

≥97%

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

≥97%

Names and Identifiers

• Pubchem Sid: 504757356
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757356
• Canonical Smiles: C1=CC(=CC=C1CC(C(=O)N)N)O
• IUPAC Name: (2S)-2-amino-3-(4-hydroxyphenyl)propanamide
• InChIKey: PQFMNVGMJJMLAE-QMMMGPOBSA-N
• INCHI: 1S/C9H12N2O2/c10-8(9(11)13)5-6-1-3-7(12)4-2-6/h1-4,8,12H,5,10H2,(H2,11,13)/t8-/m0/s1
• Isomeric SMILES: C1=CC(=CC=C1C[C@@H](C(=O)N)N)O
• Molecular Weight: 180.2
• Reaxy-Rn: 2805757
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2805757&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 Alpha amino acid amides Amphetamines and derivatives Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Fatty amides Primary carboxylic acid amides Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tyrosine or derivatives - Phenylalanine or derivatives - Alpha-amino acid amide - Amphetamine or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Carboxamide group - Primary carboxylic acid amide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxide - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Primary amine - Amine - 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: amino acid amide - L-tyrosine derivative

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

• Solubility: Soluble in 0.5 M HCl (50 mg/ml, clear faint yellow to yellow solution).
• Molecular Weight: 180.200 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 180.09 Da
• Monoisotopic Mass: 180.09 Da
• Topological Polar Surface Area: 89.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 176.000
• 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

1. Zhang Qiu-Long, Wang Liang-Liang, Liu Yan, Lin Jiao, Xu Liang.  (2021)  A kinetically controlled platform for ligand-oligonucleotide transduction.  Nature Communications,  12  (1): (1-11).  [PMID:34341342] [10.1038/s41467-021-24962-4]

2. 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]