MK-7246

Description: MK-7246 is a potent and selective CRTH2 antagonist with a Ki of 2.5±0.5 nM. It is used for the treatment of respiratory diseases.

• Catalog: OFC1218918627
• CAS: 1218918-62-7
• Category: Fluorinated APIs
• Synonyms: Pyrido(1,2-a)indole-10-acetic acid, 7-(((4-fluorophenyl)sulfonyl)methylamino)-6,7,8,9-tetrahydro-, (7R)-
• Purity: >98%

• IUPAC Name: 2-[(7R)-7-[(4-fluorophenyl)sulfonyl-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
• InChI: InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-21(25)26)17-4-2-3-5-19(17)24(20)13-15/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)/t15-/m1/s1
• InChI Key: JTCAGRAKUAAYDY-OAHLLOKOSA-N
• Isomeric SMILES: CN([C@@H]1CCC2=C(C3=CC=CC=C3N2C1)CC(=O)O)S(=O)(=O)C4=CC=C(C=C4)F
• EC Number: 849-144-3

• Molecular Formula: C21H21FN2O4S
• Molecular Weight: 416.47
• Appearance: White to off-white solid powder

• XLogP3-AA: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 416.12060649 g/mol
• Monoisotopic Mass: 416.12060649 g/mol
• Topological Polar Surface Area: 88Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 704