L-AP3 - ≥97% , CAS No.23052-80-4

CAS: 23052-80-4 Cat. No.: L338646 Molecular Weight: 169.07 Beilstein Registry Number: 3649605 EC Number: 630-752-0

GRADE & PURITY ≥97%

Synonyms

DTXSID501017380 | NCGC00097437-01 | NSC 133887 | 2-(r)-amino-3-phosphonopropionic acid | L-Alanine, 3-phosphono- | L-(+)-2-Amino-3-phosphonopropionic acid | l(+)-2-amino-3-phosphonopropionic acid | l-ap3 | DL-2-Amino-3-phosphonopropionic acid (AP3) | HY-1

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

L-AP3 is a selective antagonist of the PI-linked metabotropic glutamate response.

Specifications

Synonyms

DTXSID501017380 | NCGC00097437-01 | NSC 133887 | 2-(r)-amino-3-phosphonopropionic acid | L-Alanine, 3-phosphono- | L-(+)-2-Amino-3-phosphonopropionic acid | l(+)-2-amino-3-phosphonopropionic acid | l-ap3 | DL-2-Amino-3-phosphonopropionic acid (AP3) | HY-1

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Action Type

ANTAGONIST

Purity

≥97%

Product Properties

• pKa: pKa: 1.22 (Predicted), pKa: 9.54 (Predicted)

Names and Identifiers

• Canonical Smiles: C(C(C(=O)O)N)P(=O)(O)O
• IUPAC Name: (2R)-2-amino-3-phosphonopropanoic acid
• InChIKey: LBTABPSJONFLPO-REOHCLBHSA-N
• INCHI: 1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1
• Isomeric SMILES: C([C@@H](C(=O)O)N)P(=O)(O)O
• WGK Germany: 3
• Molecular Weight: 169.07
• Beilstein: 3649605
• Reaxy-Rn: 2253277
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2253277&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
              • Level8 L-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 - Alpha amino acids
• Direct Parent: L-alpha-amino acids
• Alternative Parents: Organic phosphonic acids Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organophosphorus compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: L-alpha-amino acid - Organophosphonic acid - Organophosphonic acid derivative - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Hydrocarbon derivative - Primary amine - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary aliphatic amine - Organic nitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
• 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

Associated Targets(Human)

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

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

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

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

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

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

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water.
• Refractive Index: n20D1.56 (Predicted)
• Boil Point(°C): 481.62° C at 760 mmHg (Predicted)
• Melt Point(°C): 227-229° C
• Molecular Weight: 169.070 g/mol
• XLogP3: -5.200
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 169.014 Da
• Monoisotopic Mass: 169.014 Da
• Topological Polar Surface Area: 121.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 174.000
• 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