CGP 37849 - Moligand™, ≥99% , Antagonist of GluN2A;Antagonist of GluN2B;Antagonist of GluN2C;Antagonist of GluN2D, CAS No.127910-31-0, Antagonist of GluN2A;Antagonist of GluN2B;Antagonist of GluN2C;Antagonist of GluN2D

CAS: 127910-31-0 Cat. No.: C274877 Molecular Weight: 209.14 EC Number: 634-190-7

GRADE & PURITY Moligand™, ≥99%

Synonyms

3-Pentenoic acid, 2-amino-4-methyl-5-phosphono- | E-2-amino-4-methyl-5-phosphono-3-pentenoic acid | MixCom1_000239 | 2-CHLORO-5-AMINOTOLUENE | CFA91031 | Cgp 37849 | GTPL4154 | 2-Amino-4-methyl-5-phosphono-3-pentenoic acid | (3E)-2-AMINO-4-METHYL-5-PHOSPH

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

Store at +4°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyms

3-Pentenoic acid, 2-amino-4-methyl-5-phosphono- | E-2-amino-4-methyl-5-phosphono-3-pentenoic acid | MixCom1_000239 | 2-CHLORO-5-AMINOTOLUENE | CFA91031 | Cgp 37849 | GTPL4154 | 2-Amino-4-methyl-5-phosphono-3-pentenoic acid | (3E)-2-AMINO-4-METHYL-5-PHOSPH

Specifications & Purity

Moligand™, ≥99%

Biochemical and Physiological Mechanisms

Competitive NMDA receptor antagonist (K i = 35 nM for displacement of CPP binding in rat brain). Potent oral anticonvulsant activity in vivo .

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

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

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of GluN2A;Antagonist of GluN2B;Antagonist of GluN2C;Antagonist of GluN2D

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC(=CC(C(=O)O)N)CP(=O)(O)O
• IUPAC Name: (E)-2-amino-4-methyl-5-phosphonopent-3-enoic acid
• InChIKey: BDYHNCZIGYIOGJ-DUXPYHPUSA-N
• INCHI: 1S/C6H12NO5P/c1-4(3-13(10,11)12)2-5(7)6(8)9/h2,5H,3,7H2,1H3,(H,8,9)(H2,10,11,12)/b4-2+
• Isomeric SMILES: C/C(=C\C(C(=O)O)N)/CP(=O)(O)O
• Molecular Weight: 209.14
• Reaxy-Rn: 15639640
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15639640&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 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: Alpha-amino acid - Fatty acyl - Fatty acid - Unsaturated fatty acid - Organophosphonic acid - Organophosphonic acid derivative - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Primary amine - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - 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

Associated Targets(Human)

GRIN2A Tclin Glutamate receptor ionotropic, NMDA 2A (0 Activities)

Discover Target: GRIN2A

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

GRIN2B Tclin Glutamate receptor ionotropic, NMDA 2B (0 Activities)

Discover Target: GRIN2B

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

GRIN2C Tclin Glutamate receptor ionotropic, NMDA 2C (0 Activities)

Discover Target: GRIN2C

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

GRIN2D Tclin Glutamate receptor ionotropic, NMDA 2D (0 Activities)

Discover Target: GRIN2D

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

GRIN2A Tclin Glutamate [NMDA] receptor subunit epsilon 1 (112 Activities)

Discover Target: GRIN2A

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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Rodentia sp. (39 Activities)

Explore this target

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

Mus musculus (284745 Activities)

Explore this target

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

Rattus norvegicus (775804 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water to 100 mM (with warming)
• Molecular Weight: 209.140 g/mol
• XLogP3: -4.100
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 209.045 Da
• Monoisotopic Mass: 209.045 Da
• Topological Polar Surface Area: 121.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 268.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1