Title: Maraviroc
CAS Registry Number: 376348-65-1
CAS Name: 4,4-Difluoro-N-[(1S)-3-[(3-exo)-3-[3-methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl]-cyclohexanecarboxamide
Additional Names: N-[(1S)-3-[3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-exo-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexanecarboxamide
Manufacturers' Codes: UK-427857
Molecular Formula: C29H41F2N5O
Molecular Weight: 513.67
Percent Composition: C 67.81%, H 8.05%, F 7.40%, N 13.63%, O 3.11%
Literature References: Potent, non-competitive CCR5 receptor antagonist; inhibits binding of HIV viral coat protein gp120. Prepn: M. Perros et al., WO 0190106; eidem, US 020013337 (2001, 2002 both to Pfizer); D. A. Price et al., Tetrahedron Lett. 46, 5005 (2005). Overview of structure identification and development: A. Wood, D. Armour, Prog. Med. Chem. 43, 239-271 (2005). Pharmacokinetics and metabolism in humans and animals: D. K. Walker et al., Drug Metab. Dispos. 33, 587 (2005).
Properties: White solid from toluene/hexane (2:1), mp 197-198°. pKa 7.3.
Melting point: mp 197-198°
pKa: pKa 7.3
Therap-Cat: Antiviral.
Keywords: Antiviral. |