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3-Cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide structure, CAS 781652-57-1

3-Cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide

CAS Number781652-57-1

SynonymsCDPPB

Molecular FormulaC23H16N4O

Molecular Weight364.40

Purity≥98 (HPLC)%

Density1.203g/cm3

Boiling Point523.277ºC at 760 mmHg

Melting Point

Flash Point

Appearancepowder

EINECS

MSDSChineseEnglish

Symbol

Signal Word

Cat. No.: 2A-9061665 Purity: ≥98 (HPLC)%
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Quality Control of [ 781652-57-1 ] Purity: ≥98 (HPLC)% SDS Specification MoL

Chemical & Physical Properties
CAS Number781652-57-1
Catalog No.2A-9061665
Chinese Name3-氰基-N-(1,3-二苯基吡唑-5-基)苯甲酰胺
SynonymsCDPPB
Molecular FormulaC23H16N4O
Molecular Weight364.40
Purity≥98 (HPLC)
Density1.203g/cm3
Boiling Point523.277ºC at 760 mmHg
Appearancepowder
Storage Condition2-8°C, sealed, dry
ApplicationCDPPB is a potent, selective and brain-penetrating positive allosteric modulator of metabotropic glutamate receptor subtype 5 (mGluR5) with an EC50 of 27 nM in Chinese hamster ovary cells expressing h
PubChem ID329825248
SMILESO.O=C(Nc1cc(nn1-c2ccccc2)-c3ccccc3)c4cccc(c4)C#N
InChI1S/C23H16N4O.H2O/c24-16-17-8-7-11-19(14-17)23(28)25-22-15-21(18-9-3-1-4-10-18)26-27(22)20-12-5-2-6-13-20;/h1-15H,(H,25,28);1H2
InChI KeyGZHZEGYXLNXEBV-UHFFFAOYSA-N
NACRES CodeNA.77
UNSPSC12352200
MSDSmsds/61665_1_781652_57_1.pdf
BioactivityCDPPB is a potent, selective and brain penetrant positive allosteric modulator of the metabotropic glutamate receptor subtype 5 (mGluR5), with an EC50 of 27 nM in Chinese hamster ovary cells expressing human mGluR5. CDPPB may provide an approach for development of antipsychotic agents[1]. Related Catalog Signaling Pathways >> GPCR/G Protein >> mGluR Research Areas >> Neurological Disease Target mGluR5:27 nM (EC50) References [1]. Kinney GG, et, al. A novel selective positive allosteric modulator of metabotropic glutamate receptor subtype 5 has in vivo activity and antipsychotic-like effects in rat behavioral models. J Pharmacol Exp Ther. 2005 Apr; 313(1):199-206. Chemical & Physical Properties Density 1.203g/cm3 Boiling Point 523.277ºC at 760 mmHg Molecular Formula C23H16N4O Molecular Weight 364.39900 Flash Point 270.268ºC Exact Mass 364.13200 PSA 70.71000 LogP 4.73628 Index of Refraction 1.655 InChIKey BKUIZWILNWHFHD-UHFFFAOYSA-N SMILES N#Cc1cccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)c1
Use ofProperties Name 3-cyano-N-(2,5-diphenylpyrazol-3-yl)benzamide Synonym More Synonyms CDPPB Biological Activity Related Catalog Signaling Pathways >> GPCR/G Protein >> mGluR Research Areas >> Neurological Disease mGluR5:27 nM (EC50) References [1]. Kinney GG, et, al. A novel selective positive allosteric modulator of metabotropic glutamate receptor subtype 5 has in vivo activity and antipsychotic-like effects in rat behavioral models. J Pharmacol Exp Ther. 2005 Apr; 313(1):199-206. Chemical & Physical Properties Molecular Formula C23H16N4O Exact Mass 364.13200 PSA 70.71000 LogP 4.73628 Index of Refraction 1.655 InChIKey BKUIZWILNWHFHD-UHFFFAOYSA-N
Transport InfoProduct name: 3-cyano-N-(1,3-diphenylpyrazol-5-yl)benzamide
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