L-Phenylalaninamide - ≥98% , CAS No.5241-58-7

CAS: 5241-58-7 Cat. No.: P105974 Molecular Weight: 164.2 Beilstein Registry Number: 6270941 EC Number: 875-163-1

GRADE & PURITY ≥98%

Synonyms

(S)-2-AMINO-3-PHENYL-PROPIONAMIDE | (S)-phenylalaninamide | Z760046820 | AKOS015854038 | EN300-209551 | Phenylalanine amide | Q-102733 | Triethyl(2-((E)-styrylphenoxy)ethyl)ammonium iodide | CARPHENAZINE MALEATE [ORANGE BOOK] | (2S)-2-Amino-3-phenylpropio

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

(S)-2-AMINO-3-PHENYL-PROPIONAMIDE | (S)-phenylalaninamide | Z760046820 | AKOS015854038 | EN300-209551 | Phenylalanine amide | Q-102733 | Triethyl(2-((E)-styrylphenoxy)ethyl)ammonium iodide | CARPHENAZINE MALEATE [ORANGE BOOK] | (2S)-2-Amino-3-phenylpropio

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

L-Phenylalaninamide is a chiral selector.

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504758845
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758845
• Canonical Smiles: C1=CC=C(C=C1)CC(C(=O)N)N
• IUPAC Name: (2S)-2-amino-3-phenylpropanamide
• InChIKey: OBSIQMZKFXFYLV-QMMMGPOBSA-N
• INCHI: 1S/C9H12N2O/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H2,11,12)/t8-/m0/s1
• Isomeric SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)N)N
• WGK Germany: 3
• Molecular Weight: 164.2
• Beilstein: 6270941
• Reaxy-Rn: 2804067
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2804067&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: Alpha amino acid amides Amphetamines and derivatives Aralkylamines Fatty amides Primary carboxylic acid amides Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalanine or derivatives - Alpha-amino acid amide - Amphetamine or derivatives - Aralkylamine - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Carboxamide group - Primary carboxylic acid amide - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - 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: amino acid amide - phenylalanine 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

Associated Targets(Human)

TACR1 Tclin Neurokinin 1 receptor (6273 Activities)

Discover Target: TACR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 92.8 °C
• Molecular Weight: 164.200 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 164.095 Da
• Monoisotopic Mass: 164.095 Da
• Topological Polar Surface Area: 69.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 153.000
• 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. 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]

2. Junfang Jiang, Xiaoyu Mu, Juan Qiao, Yuan Su, Li Qi.  (2017)  New chiral ligand exchange capillary electrophoresis system with chiral amino amide ionic liquids as ligands.  TALANTA,      [PMID:28842015] [10.1016/j.talanta.2017.07.052]