CAS 858102-79-1

1,7-Diazaspiro[4.5]decan-2-one, 8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-, hydrochloride (1:1), (5S,8S)-

Description:

1,7-Diazaspiro[4.5]decan-2-one, 8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-, hydrochloride (1:1), (5S,8S)- is a complex organic compound characterized by its spirocyclic structure, which incorporates both nitrogen and carbon atoms. The presence of the diaza group indicates that it contains two nitrogen atoms within its ring system, contributing to its unique chemical properties. The compound features a trifluoromethyl-substituted phenyl group, which enhances its lipophilicity and may influence its biological activity. The hydrochloride salt form suggests that it is a stable, water-soluble compound, making it suitable for various applications, including pharmaceutical formulations. The specific stereochemistry (5S,8S) indicates the spatial arrangement of atoms, which is crucial for its interaction with biological targets. Overall, this compound's structural complexity and functional groups suggest potential utility in medicinal chemistry, particularly in the development of therapeutics targeting specific biological pathways.

Formula: C₂₅H₂₆F₆N₂O₂·ClH

InChI: InChI=1S/C25H26F6N2O2.ClH/c1-16(17-11-19(24(26,27)28)13-20(12-17)25(29,30)31)35-15-23(18-5-3-2-4-6-18)10-9-22(14-32-23)8-7-21(34)33-22;/h2-6,11-13,16,32H,7-10,14-15H2,1H3,(H,33,34);1H/t16-,22-,23-;/m1./s1

InChI key: InChIKey=VEWAWEMXVUFANV-PVBCUUEWSA-N

SMILES: C(O[C@H](C)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)[C@]2(CC[C@]3(CN2)NC(=O)CC3)C4=CC=CC=C4.Cl

Synonyms:

• Sch 619734
• 1,7-Diazaspiro[4.5]decan-2-one, 8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-, hydrochloride (1:1), (5S,8S)-
• 1,7-Diazaspiro[4.5]decan-2-one, 8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-, monohydrochloride, (5S,8S)-
• Rolapitant hydrochloride

Rolapitant hydrochloride

CAS: 858102-79-1

Rolapitant hydrochloride

Purity: ≥98%

Molecular weight: 536.94g/mol

Ref: 54-BUP07441

Rolapitant HCl

CAS: 858102-79-1

Formula: C₂₅H₂₆F₆N₂O₂·HCl

Molecular weight: 500.49 36.46

Ref: 4Z-R-104011

Rolapitant Hydrochloride

Controlled Product

CAS: 858102-79-1

Applications Rolapitant is an NK1 receptor antagonist that is used in the treatment of chemotherapy-induced nausea and vomiting.
References Rojas, C. et al.: Cancer Treat. Rev., 41, 904 (2015); Navari, R. et al.: Exp. Rev. Anticanc. Ther., 15, 1127 (2015);

Formula: C₂₅H₂₆F₆N₂O₂·ClH

Color and Shape: Neat

Molecular weight: 536.94

Ref: TR-R639800

Rolapitant hydrochloride

CAS: 858102-79-1

Rolapitant HCl is a potent NK1 antagonist, non-CYP3A4 interactive, with anti-emetic effects and a Ki of 0.66 nM.

Formula: C₂₅H₂₇ClF₆N₂O₂

Purity: 98.35% - 99.79%

Color and Shape: Solid

Molecular weight: 536.94

Ref: TM-T3724