(S)-ATPO - Moligand™, ≥98% , Antagonist of GluA1;Antagonist of GluA2;Antagonist of GluA3;Antagonist of GluA4, CAS No.252930-37-3, Antagonist of GluA1;Antagonist of GluA2;Antagonist of GluA3;Antagonist of GluA4

CAS: 252930-37-3 Cat. No.: A607805 Molecular Weight: 322.25 PubChem CID: 4615193

GRADE & PURITY Moligand™, ≥98%

Synonyms

ATPO | DTXSID70404915 | ATPO, solid | HMS3260C06 | SDCCGSBI-0050080.P002 | NCGC00261274-01 | NCGC00015093-04 | NCGC00015093-05 | (R,S)-2-Amino-3-[5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl]propionic acid | LP00092 | SR-01000075689 | LP00589 | Tox21_50

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

ATPO is Competitive antagonist at GluR1-4 (AMPA-preferring) receptors.

Specifications

Synonyms

ATPO | DTXSID70404915 | ATPO, solid | HMS3260C06 | SDCCGSBI-0050080.P002 | NCGC00261274-01 | NCGC00015093-04 | NCGC00015093-05 | (R, S)-2-Amino-3-[5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl]propionic acid | LP00092 | SR-01000075689 | LP00589 | Tox21_50

Specifications & Purity

Moligand™, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of GluA1;Antagonist of GluA2;Antagonist of GluA3;Antagonist of GluA4

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(C)(C)C1=C(C(=NO1)OCP(=O)(O)O)CC(C(=O)O)N
• IUPAC Name: 2-amino-3-[5-tert-butyl-3-(phosphonomethoxy)-1,2-oxazol-4-yl]propanoic acid
• InChIKey: AGSOOCUNMTYPSE-UHFFFAOYSA-N
• INCHI: 1S/C11H19N2O7P/c1-11(2,3)8-6(4-7(12)10(14)15)9(13-20-8)19-5-21(16,17)18/h7H,4-5,12H2,1-3H3,(H,14,15)(H2,16,17,18)
• Isomeric SMILES: CC(C)(C)C1=C(C(=NO1)OCP(=O)(O)O)CC(C(=O)O)N
• Alternate CAS: 252930-37-3
• PubChem CID: 4615193
• Molecular Weight: 322.25

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: Aralkylamines Organic phosphonic acids Isoxazoles Heteroaromatic compounds Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organophosphorus compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid - Aralkylamine - Azole - Isoxazole - Organophosphonic acid - Heteroaromatic compound - Organophosphonic acid derivative - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Amine - Primary aliphatic amine - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organophosphorus compound - Primary amine - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic 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

Associated Targets(Human)

GRIA4 Tclin Glutamate receptor 4 (0 Activities)

Discover Target: GRIA4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

GRIA2 Tclin Glutamate receptor 2 (0 Activities)

Discover Target: GRIA2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

GRIA3 Tclin Glutamate receptor 3 (0 Activities)

Discover Target: GRIA3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

GRIA1 Tclin Glutamate receptor 1 (0 Activities)

Discover Target: GRIA1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ARSA Tbio Cerebroside-sulfatase (655 Activities)

Discover Target: ARSA

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

PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)

Discover Target: PIN1

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

FEN1 Tchem Flap endonuclease 1 (12055 Activities)

Discover Target: FEN1

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

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

BLM Tchem Bloom syndrome protein (4248 Activities)

Discover Target: BLM

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

Associated Targets(non-human)

Cruzipain (33337 Activities)

Explore this target

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

Grin1 Glutamate NMDA receptor (6467 Activities)

Discover Target: Grin1

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

Gria2 Glutamate receptor ionotropic, AMPA (2103 Activities)

Discover Target: Gria2

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 322.250 g/mol
• XLogP3: -2.700
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 322.093 Da
• Monoisotopic Mass: 322.093 Da
• Topological Polar Surface Area: 156.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 419.000
• 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