ADX-47273 - Moligand™, ≥98% , Allosteric modulator of mGlu 5 receptor, CAS No.851881-60-2, Allosteric modulator of mGlu 5 receptor

CAS: 851881-60-2 Cat. No.: A129508 Formule: C₂₀H₁₇F₂N₃O₂ Poids moléculaire: 369.36 Numéro CE: 195-480-2

GRADE & PURITY Moligand™, ≥98%

Synonyms

4C4P7L0W63 | ADX 47273 | (S)-(4-fluorophenyl)(3-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)piperidin-1-yl)methanone | HMS3884J14 | BCP9000240 | DivK1c_001218 | SW219378-1 | ADX47273 | ADX-47273 | EX-A1123 | NCGC00346722-01 | s2690 | CCG-268283 | (S)-(4-Fluo

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

4C4P7L0W63 | ADX 47273 | (S)-(4-fluorophenyl)(3-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)piperidin-1-yl)methanone | HMS3884J14 | BCP9000240 | DivK1c_001218 | SW219378-1 | ADX47273 | ADX-47273 | EX-A1123 | NCGC00346722-01 | s2690 | CCG-268283 | (S)-(4-Fluo

Spécifications et pureté

Moligand™, ≥98%

Mécanismes biochimiques et physiologiques

ADX-47273 is a brain-penetrating, potent and selective metabotropic glutamate receptor 5 (mGlu5; mGluR5) positive allosteric modulator (PAM) that enhances glutamate-stimulated Ca2+ response in rat cortical astrocytes (EC50 = 170 nM, Emax = 380%; [glutamat

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

ALLOSTERIC MODULATOR

Mécanisme d'action

Allosteric modulator of mGlu 5 receptor

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504766362
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766362
• Sourires canoniques: C1CC(CN(C1)C(=O)C2=CC=C(C=C2)F)C3=NC(=NO3)C4=CC=C(C=C4)F
• IUPAC Name: (4-fluorophenyl)-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
• InChIKey: VXQCCZHCFBHTTD-HNNXBMFYSA-N
• INCHI: 1S/C20H17F2N3O2/c21-16-7-3-13(4-8-16)18-23-19(27-24-18)15-2-1-11-25(12-15)20(26)14-5-9-17(22)10-6-14/h3-10,15H,1-2,11-12H2/t15-/m0/s1
• Isomères SMILES: C1C[C@@H](CN(C1)C(=O)C2=CC=C(C=C2)F)C3=NC(=NO3)C4=CC=C(C=C4)F
• Poids moléculaire: 369.36
• Reaxy-Rn: 12327386
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12327386&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-benzoylpiperidines
• Alternative Parents: N-benzoylpiperidines Phenyloxadiazoles 4-halobenzoic acids and derivatives Benzamides Fluorobenzenes Aryl fluorides Tertiary carboxylic acid amides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-benzoylpiperidine - 1-benzoylpiperidine - Phenyl-1,2,4-oxadiazole - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - N-acyl-piperidine - Benzamide - Benzoic acid or derivatives - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Piperidine - 1,2,4-oxadiazole - Tertiary carboxylic acid amide - Oxadiazole - Heteroaromatic compound - Azole - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 1-benzoylpiperidines. These are compounds containing a piperidine ring substituted at the 1-position with a benzoyl group.
• 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

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GRM5 Tchem Metabotropic glutamate receptor 5 (4 Activities)

Discover Target: GRM5

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

GRM5 Tchem Metabotropic glutamate receptor 5 (5733 Activities)

Discover Target: GRM5

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO 74 mg/mL Water <1 mg/mL Ethanol 30 mg/mL
• Poids moléculaire: 369.400 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 369.129 Da
• Monoisotopic Mass: 369.129 Da
• Topological Polar Surface Area: 59.200 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 507.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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