Cdppb

Base Information

• Chemical Name: Cdppb
• CAS No.: 781652-57-1
• Molecular Formula: C23H16N4O
• Molecular Weight: 364.406
• European Community (EC) Number: 694-419-1
• UNII: Y4F3R8YW3G
• DSSTox Substance ID: DTXSID80459996
• Nikkaji Number: J2.664.818A
• Wikipedia: CDPPB
• Wikidata: Q5009995
• Pharos Ligand ID: 7PPYNSX1MYZ2
• ChEMBL ID: CHEMBL190270
• Mol file: 781652-57-1.mol

Synonyms:3-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide;CDPPB

Chemical Property of Cdppb

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 523.277°C at 760 mmHg
• Flash Point: 270.268°C
• PSA: 70.71000
• Density: 1.203g/cm³
• LogP: 4.73628
• Storage Temp.: Store at +4°C
• Solubility.: DMSO: ≥5mg/mL at warmed to 60°C
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 364.13241115
• Heavy Atom Count: 28
• Complexity: 572

Purity/Quality:

98%,99%, ^*data from raw suppliers

CDPPB ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)C3=CC=CC(=C3)C#N)C4=CC=CC=C4
• Uses: 3-Cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide is a glutamate metabotropic (mGluR5) positive allosteric modulator, used in the treatment of Phelan-McDermid syndrome caused by 22qI3 deletion. Studies have shown that 3-Cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide suppresses the incre ase of LDH release and caspase-3 activation induced by traumatic neuronal injury. CDPPB may be used in mGluR5-mediated cell signaling studies.