Vidupiprant

Description: Vidupiprant / AMG853 is a potent and orally active CRTH2 (DP2) and prostanoid D receptor (DP or DP1) dual antagonist with IC50s of 3 nM and 4 nM in buffer, and 8 nM and 35 nM in human plasma, respectively. Vidupiprant has the potential for asthma treatment.

• Catalog: OFC1169483242
• CAS: 1169483-24-2
• Category: Fluorinated APIs
• Synonyms: AMG853
• Purity: >98%

• IUPAC Name: 2-[4-[4-(tert-butylcarbamoyl)-2-[(2-chloro-4-cyclopropylphenyl)sulfonylamino]phenoxy]-5-chloro-2-fluorophenyl]acetic acid
• InChI: InChI=1S/C28H27Cl2FN2O6S/c1-28(2,3)32-27(36)17-6-8-23(39-24-14-21(31)18(11-19(24)29)13-26(34)35)22(12-17)33-40(37,38)25-9-7-16(10-20(25)30)15-4-5-15/h6-12,14-15,33H,4-5,13H2,1-3H3,(H,32,36)(H,34,35)
• InChI Key: PFWVGKROPKKEDW-UHFFFAOYSA-N
• Isomeric SMILES: CC(C)(C)NC(=O)C1=CC(=C(C=C1)OC2=C(C=C(C(=C2)F)CC(=O)O)Cl)NS(=O)(=O)C3=C(C=C(C=C3)C4CC4)Cl

• Molecular Formula: C28H27Cl2FN2O6S
• Molecular Weight: 609.49
• Appearance: White to off-white solid powder

• XLogP3-AA: 6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 608.0950913 g/mol
• Monoisotopic Mass: 608.0950913 g/mol
• Topological Polar Surface Area: 130Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 1020