N-Acetyl-L-tyrosine Amide - ≥98% , CAS No.1948-71-6

CAS: 1948-71-6 Cat. No.: N305300 Molecular Weight: 222.24 EC Number: 217-756-4

GRADE & PURITY ≥98%

Synonyms

UNII-X315200H5U | Ac-L-Tyr-NH2 | MFCD00002391 | AMY25330 | (S)-2-acetamido-3-(4-hydroxyphenyl)propanamide | 2-(Acetylamino)-3-(4-hydroxyphenyl)propanamide # | Acetyl-L-tyrosinamid | SCHEMBL468899 | N-.alpha.-Acetyl-L-tyrosinamide | AKOS024257969 | Benzene

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

UNII-X315200H5U | Ac-L-Tyr-NH2 | MFCD00002391 | AMY25330 | (S)-2-acetamido-3-(4-hydroxyphenyl)propanamide | 2-(Acetylamino)-3-(4-hydroxyphenyl)propanamide # | Acetyl-L-tyrosinamid | SCHEMBL468899 | N-.alpha.-Acetyl-L-tyrosinamide | AKOS024257969 | Benzene

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

L-tyrosine analog. Shows specific absorption and emission spectra distinct from L-tyrosine. Stimulates L-Tyr transport mainly by the ASC system.

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504760034
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760034
• Canonical Smiles: CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)N
• IUPAC Name: (2S)-2-acetamido-3-(4-hydroxyphenyl)propanamide
• InChIKey: RJNKBEQRBIJDNM-JTQLQIEISA-N
• INCHI: 1S/C11H14N2O3/c1-7(14)13-10(11(12)16)6-8-2-4-9(15)5-3-8/h2-5,10,15H,6H2,1H3,(H2,12,16)(H,13,14)/t10-/m0/s1
• Isomeric SMILES: CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N
• Molecular Weight: 222.24
• Reaxy-Rn: 2809786
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2809786&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 Amphetamines and derivatives 1-hydroxy-2-unsubstituted benzenoids Fatty amides Acetamides Secondary carboxylic acid amides Primary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tyrosine or derivatives - Phenylalanine or derivatives - N-acyl-alpha amino acid or derivatives - Amphetamine or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Fatty amide - Benzenoid - Fatty acyl - Acetamide - Secondary carboxylic acid amide - Primary carboxylic acid amide - Carboxamide group - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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

Chemical and Physical Properties

• Flash Point(°C): 231.7ºC
• Boil Point(°C): 459.5ºC
• Melt Point(°C): 223-225ºC
• Molecular Weight: 222.240 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 222.1 Da
• Monoisotopic Mass: 222.1 Da
• Topological Polar Surface Area: 92.400 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 260.000
• 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