VU 29 - Moligand™, ≥98% , Allosteric modulator of mGlu 5 receptor, CAS No.890764-36-0, Allosteric modulator of mGlu 5 receptor

CAS: 890764-36-0 Cat. No.: V286646 Fórmula: C₂₂H₁₆N₄O₃ Peso molecular: 384.39 PubChem CID: 11610682

GRADE & PURITY Moligand™, ≥98%

Synonyms

BCP27694 | AKOS040745416 | DTXSID60469437 | GTPL6403 | VU29 | VU-29 | AKOS005266482 | NCGC00370929-02 | EX-A4560 | N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-nitrobenzamide | N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-nitro-benzamide | VU29;VU 29;DPAP | BDBM50187615 | N-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

BCP27694 | AKOS040745416 | DTXSID60469437 | GTPL6403 | VU29 | VU-29 | AKOS005266482 | NCGC00370929-02 | EX-A4560 | N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-nitrobenzamide | N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-nitro-benzamide | VU29;VU 29;DPAP | BDBM50187615 | N-

Especificações e pureza

Moligand™, ≥98%

Mecanismos bioquímicos e fisiológicos

Potent allosteric potentiator at the rat mGlu5receptor (EC50= 9 nM); binds to the MPEP allosteric site (Ki app= 244 nM). Selective for mGlu5 over mGlu1and mGlu2receptors (EC50values are 557 nM and 1.51μM for mGlu1and mGlu2respectively). Potentiates both D

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

ALLOSTERIC MODULATOR

Mecanismo de ação

Allosteric modulator of mGlu 5 receptor

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 528767661
• Sorrisos canónicos: C1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4
• IUPAC Name: N-(2,5-diphenylpyrazol-3-yl)-4-nitrobenzamide
• InChIKey: KIALCSMRIHRFPL-UHFFFAOYSA-N
• INCHI: 1S/C22H16N4O3/c27-22(17-11-13-19(14-12-17)26(28)29)23-21-15-20(16-7-3-1-4-8-16)24-25(21)18-9-5-2-6-10-18/h1-15H,(H,23,27)
• SMILES isoméricas: C1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4
• PubChem CID: 11610682
• Peso molecular: 384.39

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Nitrobenzenes Benzamides Nitroaromatic compounds Benzoyl derivatives Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpyrazole - Benzamide - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic salt - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic zwitterion - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl 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

Alvos associados (humanos)

GRM5 Tchem Metabotropic glutamate receptor 5 (2 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

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

Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solvent:DMSO, Max Conc. mg/mL: 38.44, Max Conc. mM: 100
• Peso molecular: 384.400 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 384.122 Da
• Monoisotopic Mass: 384.122 Da
• Topological Polar Surface Area: 92.700 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 561.000
• 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