DL-Propargylglycine - ≥95% , CAS No.50428-03-0

CAS: 50428-03-0 Cat. No.: D647765 Molecular Weight: 113.11 EC Number: 827-880-6

GRADE & PURITY ≥95%

Synonyms

2WA8F50C3F | 4-PENTYNOIC ACID, 2-AMINO-, (+/-)- | FT-0698061 | Ftc, dl- | H-Propargyl-DL-Gly-OH;(RS)-2-Amino-4-pentynoic acid | 2-amino-4-pentynoic acid, monohydrochloride | AB89124 | 2-Propynylglycine | Propargyl glycine | FU67PLJ48R | AS-18031 | DL-2-Am

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Overview

DL-Propargylglycine is a Glycine (HY-Y0966) derivative[1]. DL-Propargylglycine is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.

Specifications

Synonyms

2WA8F50C3F | 4-PENTYNOIC ACID, 2-AMINO-, (+/-)- | FT-0698061 | Ftc, dl- | H-Propargyl-DL-Gly-OH;(RS)-2-Amino-4-pentynoic acid | 2-amino-4-pentynoic acid, monohydrochloride | AB89124 | 2-Propynylglycine | Propargyl glycine | FU67PLJ48R | AS-18031 | DL-2-Am

Specifications & Purity

≥95%

Biochemical and Physiological Mechanisms

DL-Propargylglycine is a Glycine ( HY-Y0966 ) derivative.

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C#CCC(C(=O)O)N
• IUPAC Name: 2-aminopent-4-ynoic acid
• InChIKey: DGYHPLMPMRKMPD-UHFFFAOYSA-N
• INCHI: 1S/C5H7NO2/c1-2-3-4(6)5(7)8/h1,4H,3,6H2,(H,7,8)
• Isomeric SMILES: C#CCC(C(=O)O)N
• Alternate CAS: 64165-64-6,50428-03-0
• NSC Number: 21940
• MeSH Entry Terms: L-2-amino-4-pentynoic acid;propargylglycine;propargylglycine hydrochloride;propargylglycine, (+-)-isomer;propargylglycine, (R)-isomer;propargylglycine, (S)-isomer
• Molecular Weight: 113.11
• Reaxy-Rn: 1748643
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1748643&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 Alpha amino acids

• 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: Alpha amino acids
• Alternative Parents: Unsaturated fatty acids Amino acids Monocarboxylic acids and derivatives Carboxylic acids Acetylides Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid - Unsaturated fatty acid - Fatty acid - Fatty acyl - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Acetylide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: H2O : 100 mg/mL (884.10 mM; Need ultrasonic)
• Sensitivity: light sensitive
• Molecular Weight: 113.110 g/mol
• XLogP3: -2.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 113.048 Da
• Monoisotopic Mass: 113.048 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 133.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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. Jia Honglei, Chen Sisi, Liu Dan, Liesche Johannes, Shi Cong, Wang Juan, Ren Meijuan, Wang Xiaofeng, Yang Jun, Shi Wei, Li Jisheng.  (2018)  Ethylene-Induced Hydrogen Sulfide Negatively Regulates Ethylene Biosynthesis by Persulfidation of ACO in Tomato Under Osmotic Stress.  Frontiers in Plant Science,      [PMID:30386366] [10.3389/fpls.2018.01517]