L-Phenylalanine-d5 - ≥98 atom% D,≥98% , CAS No.56253-90-8

CAS: 56253-90-8 Cat. No.: L354493 Molecular Weight: 170.22

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

(2S)-2-amino-3-(2,3,4,5,6-pentadeuteriophenyl)propanoic acid | (2,3,4,5,6-2H5)-L-PHENYLALANINE | L-Phenylalanine-d5 | 2,3,4,5,6-Pentadeutero-L-phenylalanine | HY-N0215S12 | D98700 | CHEBI:192084 | DTXSID101315572 | L-(2,3,4,5,6-2H5)Phenylalanine | (2S)-2-

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Overview

Application：

Labeled L-Phenylalanine is an essential amino acid. L-Phenylalanine is biologically converted into L-tyrosine, another one of the DNA-encoded amino acids, which in turn is converted to L-DOPA and further converted into dopamine, norepinephrine, and epinephrine. L-Phenylalanine is produced for medical, feed, and nutritional applications such as in the preparation of Aspartame.

Specifications

Synonyms

(2S)-2-amino-3-(2, 3, 4, 5, 6-pentadeuteriophenyl)propanoic acid | (2, 3, 4, 5, 6-2H5)-L-PHENYLALANINE | L-Phenylalanine-d5 | 2, 3, 4, 5, 6-Pentadeutero-L-phenylalanine | HY-N0215S12 | D98700 | CHEBI:192084 | DTXSID101315572 | L-(2, 3, 4, 5, 6-2H5)Phenylalanine | (2S)-2-

Specifications & Purity

≥98 atom% D, ≥98%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

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

Action Type

ANTAGONIST

Purity

≥98 atom% D, ≥98%

Names and Identifiers

• Pubchem Sid: 504767306
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767306
• Canonical Smiles: C1=CC=C(C=C1)CC(C(=O)O)N
• IUPAC Name: (2S)-2-amino-3-(2,3,4,5,6-pentadeuteriophenyl)propanoic acid
• InChIKey: COLNVLDHVKWLRT-HRVDQBBZSA-N
• INCHI: 1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/i1D,2D,3D,4D,5D
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C[C@@H](C(=O)O)N)[2H])[2H]
• Alternate CAS: 63-91-2（unlabelled）
• Molecular Weight: 170.22
• Reaxy-Rn: 1910407
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1910407&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 Phenylalanine 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: Phenylalanine and derivatives
• Alternative Parents: Phenylpropanoic acids L-alpha-amino acids Amphetamines and derivatives Aralkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalanine or derivatives - 3-phenylpropanoic-acid - Alpha-amino acid - Amphetamine or derivatives - L-alpha-amino acid - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Primary amine - Primary aliphatic amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine 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

• Solubility: DMSO (Slightly), Water (Slightly)
• Sensitivity: Moisture sensitive；Light sensitive
• Melt Point(°C): 243-246° C
• Molecular Weight: 170.220 g/mol
• XLogP3: -1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 170.11 Da
• Monoisotopic Mass: 170.11 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 153.000
• Isotope Atom Count: 5
• 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. Ningbo Geng, Yun Luo, Rong Cao, Xiaoyao Song, Fang Li, Feidi Wang, Yufeng Gong, Liguo Xing, Haijun Zhang, Jiping Chen.  (2020)  Effect of short-chain chlorinated paraffins on metabolic profiling of male SD rats.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:33182165] [10.1016/j.scitotenv.2020.141404]