(1’S,2R,3R)-Defluoro Fosaprepitant Dimeglumine

Ref. TR-F727350

Produktinformation

• Name: (1’S,2R,3R)-Defluoro Fosaprepitant Dimeglumine
• Synonyme: (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentaol hemi((3-(((2R,3R)-2-((S)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-phenylmorpholino)methyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)phosphonate)

Beschreibung

Applications (1’S,2R,3R)-Defluro Fosaprepitant Dimeglumine is an impurity of Fosaprepitant (F727300) isomer, which is a selective neurokinin-1 (NK-1) receptor antahonist. Fosaprepitant is an antiemetic drug and Aprepitant (A729800) prodrug.
References Tattersall, F., et al.: Neuropharmacol., 39, 652 (2000); Cocquyt, V., et al.: Eur. J. Canc., 37, 835 (2001); Lasseter, K., et al.: J. Clin. Pharmacol., 47, 834 (2007); Marbury, T., et al.: Anesthes., Analges., 109, 418 (2009)

• Marke: TRC

Chemische Eigenschaften

• Molekulargewicht: 986.85
• Formel: C₃₇H₅₇F₆N₆O₁₆P
• Farbe/Form: Neat
• InChl: InChI=1S/C23H23F6N4O6P.2C7H17NO5/c1-13(15-9-16(22(24,25)26)11-17(10-15)23(27,28)29)39-20-19(14-5-3-2-4-6-14)32(7-8-38-20)12-18-30-21(34)33(31-18)40(35,36)37;2*1-8-2-4(10)6(12)7(13)5(11)3-9/h2-6,9-11,13,19-20H,7-8,12H2,1H3,(H,30,31,34)(H2,35,36,37);2*4-13H,2-3H2,1H3/t13?,19-,20-;2*4-,5+,6+,7+/m100/s1
• InChI Key: InChIKey=BLKGRNBEVDABEV-ZFYQWLDTSA-N
• SMILES: CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.C[C@H](O[C@@H]1OCCN(Cc2nn(P(=O)(O)O)c(=O)[nH]2)[C@H]1c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1