2-(9-Chloro-1h-Phenanthro[9,10-D]imidazol-2-Yl)benzene-1,3-Dicarbonitrile

Base Information

• Chemical Name: 2-(9-Chloro-1h-Phenanthro[9,10-D]imidazol-2-Yl)benzene-1,3-Dicarbonitrile
• CAS No.: 892549-43-8
• Molecular Formula: C23H11ClN4
• Molecular Weight: 378.81
• UNII: 7TU641M876
• ChEMBL ID: CHEMBL412099
• DSSTox Substance ID: DTXSID50581753
• Nikkaji Number: J3.637.467E
• Wikidata: Q27268842
• Mol file: 892549-43-8.mol

Synonyms:MF63 compound

Chemical Property of 2-(9-Chloro-1h-Phenanthro[9,10-D]imidazol-2-Yl)benzene-1,3-Dicarbonitrile

Chemical Property:

• Boiling Point: 709.7 °C at 760 mmHg
• PKA: 11.34±0.30(Predicted)
• Flash Point: 383 °C
• PSA: 76.26000
• Density: 1.49 g/cm³
• LogP: 5.93306
• Solubility.: Soluble in DMSO
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 378.0672241
• Heavy Atom Count: 28
• Complexity: 667

Purity/Quality:

99% ^*data from raw suppliers

MF 63 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=C(C=CC(=C3)Cl)C4=C2N=C(N4)C5=C(C=CC=C5C#N)C#N
• Description: Microsomal prostaglandin E2 synthase-1 (mPGES-1) is the terminal enzyme in the biosynthesis of PGE2. MF63 is a potent, selective, and orally active inhibitor of human mPGES-1 (IC50 = 1.3 nM). It displays greater than 1,000-fold selectivity over other prostanoid synthases. MF63 also potently inhibits guinea pig mPGES-1 (IC50 = 0.9 nM) but not mouse or rat mPGES-1. In guinea pigs or in mice expressing human mPGES-1, MF63 prevents LPS-induced pyresis, hyperalgesia, and iodoacetate-induced osteoarthritic pain. It does not produce the gastrointestinal toxicity that is caused by non-selective COX inhibitors, although it markedly suppresses PGE2 synthesis in the stomach.
• Uses: MF 63 is a microsomal prostaglandin E2 synthase-1 (mPGES-1) the final enzyme in the synthesis of PGE2. Prevents LPS-induced hyperglasia. Anti-inflammatory, analgesic, anti-cancer agent.