MMPIP - Moligand™, ≥98% , Allosteric modulator of mGlu 7 receptor, CAS No.479077-02-6, Allosteric modulator of mGlu 7 receptor

CAS: 479077-02-6 Cat. No.: M274723 Molecular Weight: 333.34 EC Number: 663-556-9

GRADE & PURITY Moligand™, ≥98%

Synonyms

BCP23933 | BDBM50305877 | 6-(4-methoxyphenyl)-5-methyl-3-(4-pyridinyl)-isoxazolo[4,5-c]pyridin-4(5h)-one | 6-(4-methoxyphenyl)-5-methyl-3-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one | DTXSID90433202 | MMPIP | NCGC00378759-01 | AKOS015851872 | GTPL3341 |

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

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

Specifications

Synonyms

BCP23933 | BDBM50305877 | 6-(4-methoxyphenyl)-5-methyl-3-(4-pyridinyl)-isoxazolo[4, 5-c]pyridin-4(5h)-one | 6-(4-methoxyphenyl)-5-methyl-3-pyridin-4-yl-[1, 2]oxazolo[4, 5-c]pyridin-4-one | DTXSID90433202 | MMPIP | NCGC00378759-01 | AKOS015851872 | GTPL3341 |

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Potent, selective allosteric antagonist at mGlu 7 receptors. Inhibits agonist-induced intracellular calcium mobilisation and cAMP accumulation (IC 50 values are 26 and 610 nM). Also displays intrinsic activity; increasing forskolin-induced cAMP accumulati

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

ALLOSTERIC MODULATOR

Mechanism of action

Allosteric modulator of mGlu 7 receptor

Note

This product is supplied in one (or more) pack size which is freeze dried. Therefore the contents may not be readily visible, as they can coat the bottom or walls of the vial. Please see our FAQs and information page for more details on handling. 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. Toxic, refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504765136
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765136
• Canonical Smiles: CN1C(=CC2=C(C1=O)C(=NO2)C3=CC=NC=C3)C4=CC=C(C=C4)OC
• IUPAC Name: 6-(4-methoxyphenyl)-5-methyl-3-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one
• InChIKey: PDWYBOZNEVALOV-UHFFFAOYSA-N
• INCHI: 1S/C19H15N3O3/c1-22-15(12-3-5-14(24-2)6-4-12)11-16-17(19(22)23)18(21-25-16)13-7-9-20-10-8-13/h3-11H,1-2H3
• Isomeric SMILES: CN1C(=CC2=C(C1=O)C(=NO2)C3=CC=NC=C3)C4=CC=C(C=C4)OC
• Alternate CAS: 1215566-78-1
• Molecular Weight: 333.34
• Reaxy-Rn: 11166762
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11166762&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Isoxazolopyridines Phenoxy compounds Methoxybenzenes Anisoles Pyridinones Alkyl aryl ethers Isoxazoles Heteroaromatic compounds Lactams Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-phenylpyridine - 1,2-oxazolopyridine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyridinone - Monocyclic benzene moiety - Benzenoid - Azole - Isoxazole - Heteroaromatic compound - Lactam - Ether - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• 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)

GRM7 Tchem Metabotropic glutamate receptor 7 (0 Activities)

Discover Target: GRM7

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

Associated Targets(non-human)

Grm7 Metabotropic glutamate receptor 7 (580 Activities)

Discover Target: Grm7

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 DMSO to 10 mM
• Molecular Weight: 333.300 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 333.111 Da
• Monoisotopic Mass: 333.111 Da
• Topological Polar Surface Area: 68.500 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 524.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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