CTEP

Description: CTEP /RO4956371 is a novel, long-acting, orally bioavailable allosteric antagonist of mGlu5 receptor with IC50 of 2.2 nM, shows >1000-fold selectivity over other mGlu receptors.

• Catalog: OFC871362311
• CAS: 871362-31-1
• Category: Fluorinated APIs
• Synonyms: RO4956371
• Purity: >98%

• IUPAC Name: 2-chloro-4-[2-[2,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]ethynyl]pyridin
• InChI: InChI=1S/C19H13ClF3N3O/c1-12-17(8-3-14-9-10-24-18(20)11-14)25-13(2)26(12)15-4-6-16(7-5-15)27-19(21,22)23/h4-7,9-11H,1-2H3
• InChI Key: GOHCTCOGYKAJLZ-UHFFFAOYSA-N
• Isomeric SMILES: CC1=C(N=C(N1C2=CC=C(C=C2)OC(F)(F)F)C)C#CC3=CC(=NC=C3)Cl

• Molecular Formula: C19H13ClF3N3O
• Molecular Weight: 391.78
• Appearance: White to off-white solid powder

• XLogP3-AA: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 391.0699242 g/mol
• Monoisotopic Mass: 391.0699242 g/mol
• Topological Polar Surface Area: 39.9Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 568