CPPG - Moligand™, ≥99% , Antagonist of mGlu 4 receptor;Antagonist of mGlu 8 receptor, CAS No.183364-82-1, Antagonist of mGlu 4 receptor;Antagonist of mGlu 8 receptor

CAS: 183364-82-1 Cat. No.: C275189 Formula: C₁₁H₁₄NO₅P Molecular Weight: 271.21 EC Number: 803-112-5

GRADE & PURITY Moligand™, ≥99%

Synonyms

(RS)-α-Cyclopropyl-4-phosphonophenylglycine

Storage

Room temperature,Desiccated

Shipped In

Normal

Overview

Store at Room Temperature. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyms

(RS)-α-Cyclopropyl-4-phosphonophenylglycine

Specifications & Purity

Moligand™, ≥99%

Biochemical and Physiological Mechanisms

Potent group II/III metabotropic glutamate receptor antagonist. Displays 20-fold selectivity for Group III over Group II. K i values are 11.5, 17.3 and 4.02 μM for mGlu receptor subtypes mGlu 6 mGlu 7a and mGlu 8a , respectively.

Storage

Room temperature,Desiccated

Shipped In

Normal

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of mGlu 4 receptor;Antagonist of mGlu 8 receptor

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

C1CC1C(C2=CC=C(C=C2)P(=O)(O)O)(C(=O)O)N

IUPAC Name

2-amino-2-cyclopropyl-2-(4-phosphonophenyl)acetic acid

InChIKey

IGODGTDUQSMDQU-UHFFFAOYSA-N

INCHI

1S/C11H14NO5P/c12-11(10(13)14,7-1-2-7)8-3-5-9(6-4-8)18(15,16)17/h3-7H,1-2,12H2,(H,13,14)(H2,15,16,17)

Isomeric SMILES

C1CC1C(C2=CC=C(C=C2)P(=O)(O)O)(C(=O)O)N

Molecular Weight

271.21

Reaxy-Rn

24162380

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24162380&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: Aralkylamines Benzene and substituted derivatives Organic phosphonic acids Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organophosphorus compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Organophosphonic acid - Organophosphonic acid derivative - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Primary aliphatic amine - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Amine - Aromatic homomonocyclic 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)

GRM4 Tchem Metabotropic glutamate receptor 4 (1 Activities)

Discover Target: GRM4

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

GRM8 Tchem Metabotropic glutamate receptor 8 (1 Activities)

Discover Target: GRM8

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in 1 eq. NaOH to 100 mM
• Molecular Weight: 271.210 g/mol
• XLogP3: -3.100
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 271.061 Da
• Monoisotopic Mass: 271.061 Da
• Topological Polar Surface Area: 121.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 383.000
• 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