CAS 1627607-88-8

6-Isoquinolinesulfonamide, 8-fluoro-1,2,3,4-tetrahydro-N-[(1S)-2-oxo-2-(1-pyrrolidinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]ethyl]-, hydrochloride (1:1)

Description:

6-Isoquinolinesulfonamide, 8-fluoro-1,2,3,4-tetrahydro-N-[(1S)-2-oxo-2-(1-pyrrolidinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]ethyl]-, hydrochloride (1:1) is a complex organic compound characterized by its unique structural features, including a sulfonamide group and a tetrahydroisoquinoline framework. The presence of a fluorine atom and a trifluoromethyl group contributes to its potential biological activity and lipophilicity, which may enhance its pharmacokinetic properties. This compound is likely to exhibit specific interactions with biological targets, making it of interest in medicinal chemistry, particularly in the development of therapeutic agents. The hydrochloride salt form indicates enhanced solubility in aqueous environments, which is beneficial for drug formulation. Its stereochemistry, particularly the (1S) configuration, suggests potential chiral selectivity in biological interactions. Overall, this compound's intricate structure and functional groups position it as a candidate for further investigation in pharmaceutical applications, particularly in the context of targeting specific diseases or conditions.

Formula: C₂₃H₂₅F₄N₃O₃S·ClH

InChI: InChI=1S/C23H25F4N3O3S.ClH/c24-20-13-18(12-16-6-7-28-14-19(16)20)34(32,33)29-21(22(31)30-8-1-2-9-30)11-15-4-3-5-17(10-15)23(25,26)27;/h3-5,10,12-13,21,28-29H,1-2,6-9,11,14H2;1H/t21-;/m0./s1

InChI key: InChIKey=ZADKZNVAJGEFLC-BOXHHOBZSA-N

SMILES: FC1=C2C(=CC(S(N[C@@H](CC3=CC(C(F)(F)F)=CC=C3)C(=O)N4CCCC4)(=O)=O)=C1)CCNC2.Cl

Synonyms:

• 6-Isoquinolinesulfonamide, 8-fluoro-1,2,3,4-tetrahydro-N-[(1S)-2-oxo-2-(1-pyrrolidinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]ethyl]-, hydrochloride (1:1)
• (S)-PFI 2 hydrochloride

(S)-PFI-2 Hydrochloride

Controlled Product

CAS: 1627607-88-8

Formula: C₂₃H₂₅F₄N₃O₃•HCl

Color and Shape: Neat

Molecular weight: 535.98

Ref: TR-P294090