DCG IV - Moligand™, ≥98%(HPLC) , Antagonist of mGlu 1 receptor;Agonist of mGlu 2 receptor;Agonist of mGlu 3 receptor;Antagonist of mGlu 5 receptor;Antagonist of mGlu 6 receptor;Antagonist of mGlu 7 receptor;Antagonist of mGlu 8 receptor, CAS No.147782-19-, Antagonist of mGlu 1 receptor;Agonist of mGlu 2 receptor;Agonist of mGlu 3 receptor;Antagonist of mGlu 5 receptor;Antagonist of mGlu 6 receptor;Antagonist of mGlu 7 receptor;Antagonist of mGlu 8 receptor

CAS: 147782-19-2 Cat. No.: D288585 Molecular Weight: 203.15 EC Number: 633-945-8

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

(1R,2R)-3-((S)-Amino-carboxy-methyl)-cyclopropane-1,2-dicarboxylic acid | HY-101335 | BDBM50034503 | SCHEMBL658075 | (2S,2''R,3''R)-2-(2'',3'')-dicarboxycyclopropylglycine | 3-(Amino-carboxy-methyl)-cyclopropane-1,2-dicarboxylic acid | (1r,2r)-3-[(S)-Amin

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

(1R, 2R)-3-((S)-Amino-carboxy-methyl)-cyclopropane-1, 2-dicarboxylic acid | HY-101335 | BDBM50034503 | SCHEMBL658075 | (2S, 2''R, 3''R)-2-(2'', 3'')-dicarboxycyclopropylglycine | 3-(Amino-carboxy-methyl)-cyclopropane-1, 2-dicarboxylic acid | (1r, 2r)-3-[(S)-Amin

Specifications & Purity

Moligand™, ≥98%(HPLC)

Biochemical and Physiological Mechanisms

Presynaptic depressant; highly potent agonist for group II mGlu receptors.

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

AGONIST, ANTAGONIST

Mechanism of action

Antagonist of mGlu 1 receptor;Agonist of mGlu 2 receptor;Agonist of mGlu 3 receptor;Antagonist of mGlu 5 receptor;Antagonist of mGlu 6 receptor;Antagonist of mGlu 7 receptor;Antagonist of mGlu 8 receptor

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: C1(C(C1C(=O)O)C(=O)O)C(C(=O)O)N
• IUPAC Name: (1R,2R)-3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid
• InChIKey: MATPZHBYOVDBLI-JJYYJPOSSA-N
• INCHI: 1S/C7H9NO6/c8-4(7(13)14)1-2(5(9)10)3(1)6(11)12/h1-4H,8H2,(H,9,10)(H,11,12)(H,13,14)/t2-,3-,4+/m1/s1
• Isomeric SMILES: [C@@H]1([C@@H](C1[C@@H](C(=O)O)N)C(=O)O)C(=O)O
• Molecular Weight: 203.15
• Reaxy-Rn: 13262867
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13262867&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: Tricarboxylic acids and derivatives Cyclopropanecarboxylic acids Amino acids Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: L-alpha-amino acid - Tricarboxylic acid or derivatives - Cyclopropanecarboxylic acid - Cyclopropanecarboxylic acid or derivatives - Amino acid - Carboxylic acid - Amine - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Aliphatic homomonocyclic 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)

GRM1 Tchem Metabotropic glutamate receptor 1 (1 Activities)

Discover Target: GRM1

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

GRM2 Tchem Metabotropic glutamate receptor 2 (2 Activities)

Discover Target: GRM2

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

GRM5 Tchem Metabotropic glutamate receptor 5 (1 Activities)

Discover Target: GRM5

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

GRM7 Tchem Metabotropic glutamate receptor 7 (1 Activities)

Discover Target: GRM7

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)

GRM3 Tchem Metabotropic glutamate receptor 3 (2 Activities)

Discover Target: GRM3

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

GRM6 Tchem Metabotropic glutamate receptor 6 (1 Activities)

Discover Target: GRM6

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

GRM3 Tchem Metabotropic glutamate receptor 3 (732 Activities)

Discover Target: GRM3

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

GRM4 Tchem Metabotropic glutamate receptor 4 (2320 Activities)

Discover Target: GRM4

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

GRM6 Tchem Metabotropic glutamate receptor 6 (361 Activities)

Discover Target: GRM6

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

GRM1 Tchem Metabotropic glutamate receptor 1 (2309 Activities)

Discover Target: GRM1

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

GRM5 Tchem Metabotropic glutamate receptor 5 (5733 Activities)

Discover Target: GRM5

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

Associated Targets(non-human)

Grm2 Metabotropic glutamate receptor 2 (1326 Activities)

Discover Target: Grm2

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

Grm8 Metabotropic glutamate receptor 8 (169 Activities)

Discover Target: Grm8

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:water, Max Conc. mg/mL: 20.32, Max Conc. mM: 100
• Molecular Weight: 203.150 g/mol
• XLogP3: -4.300
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 203.043 Da
• Monoisotopic Mass: 203.043 Da
• Topological Polar Surface Area: 138.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 281.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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