Setipiprant

Description: Setipiprant / ACT-129968 / KYTH-105 is a potent and selective CRTH2 antagonist. Setipiprant at multiple oral doses was well tolerated and reduced both the allergen-induced LAR and the associated AHR in allergic asthmatics.

• Catalog: OFC866460335
• CAS: 866460-33-5
• Category: Fluorinated APIs
• Synonyms: ACT-129968
• Purity: >98%

• IUPAC Name: 2-[8-fluoro-2-(naphthalene-1-carbonyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]acetic acid
• InChI: InChI=1S/C24H19FN2O3/c25-16-8-9-21-19(12-16)20-13-26(11-10-22(20)27(21)14-23(28)29)24(30)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,12H,10-11,13-14H2,(H,28,29)
• InChI Key: IHAXLPDVOWLUOS-UHFFFAOYSA-N
• Isomeric SMILES: C1CN(CC2=C1N(C3=C2C=C(C=C3)F)CC(=O)O)C(=O)C4=CC=CC5=CC=CC=C54

• Molecular Formula: C24H19FN2O3
• Molecular Weight: 402.43
• Appearance: White to off-white solid powder

• XLogP3-AA: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 402.13797063 g/mol
• Monoisotopic Mass: 402.13797063 g/mol
• Topological Polar Surface Area: 62.5Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 673