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VU 29 - 98%, high purity , CAS No.890764-36-0, Allosteric modulator of mGlu 5 receptor

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VU 29 - 98%, high purity , CAS No.890764-36-0, Allosteric modulator of mGlu 5 receptor

COA

Grade & Purity:

Moligand™

≥98%

Cas Number: 890764-36-0
Molecular Weight: 384.39
PubChem CID: 11610682

In stock

Item Number

V286646

Grouped product items
SKU	Size	Availability	Price
V286646-5mg	5mg	3	$98.90
V286646-10mg	10mg	3	$167.90
V286646-25mg	25mg	2	$345.90
V286646-50mg	50mg	2	$573.90
V286646-100mg	100mg	2	$939.90

Potent positive allosteric modulator of mGlu5receptors

View related series

Class C GPCR (248) GPCR/G Protein (3172) mGlu5 receptor Allosteric modulator (80) mGluR (176) Neuronal Signaling (3320)

Basic Description

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-
Specifications & Purity	Moligand™, ≥98%
Biochemical and Physiological Mechanisms	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
Storage Temp	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	ALLOSTERIC MODULATOR
Mechanism of action	Allosteric modulator of mGlu 5 receptor

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Pyrazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	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
Description	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
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)

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

Associated Targets(non-human)

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	N-(2,5-diphenylpyrazol-3-yl)-4-nitrobenzamide
INCHI	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)
InChIKey	KIALCSMRIHRFPL-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4
Isomeric SMILES	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
Molecular Weight	384.39

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
B23271323	Certificate of Analysis	Aug 16, 2022	V286646
B2328063	Certificate of Analysis	Aug 16, 2022	V286646
B23271277	Certificate of Analysis	Aug 16, 2022	V286646
B23271274	Certificate of Analysis	Aug 16, 2022	V286646
B23271241	Certificate of Analysis	Aug 16, 2022	V286646

Chemical and Physical Properties

Solubility	Solvent:DMSO, Max Conc. mg/mL: 38.44, Max Conc. mM: 100
Molecular Weight	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 Å²
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

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