Timapiprant

Description: Timapiprant / OC000459 is a potent, selective and orally active CRTH2 antagonist. It inhibits mast cell-dependent activation of T helper 2 lymphocytes and eosinophils. And it appears to inhibit allergic inflammation in asthma.

• Catalog: OFC851723847
• CAS: 851723-84-7
• Category: Fluorinated APIs
• Synonyms: OC000459
• Purity: >98%

• IUPAC Name: 2-[5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)indol-1-yl]acetic acid
• InChI: InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26)
• InChI Key: FATGTHLOZSXOBC-UHFFFAOYSA-N
• Isomeric SMILES: CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)F)CC3=NC4=CC=CC=C4C=C3

• Molecular Formula: C21H17FN2O2
• Molecular Weight: 348.38
• Appearance: White to off-white solid powder

• XLogP3-AA: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 348.12740595 g/mol
• Monoisotopic Mass: 348.12740595 g/mol
• Topological Polar Surface Area: 55.1Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 516