CAS 573738-99-5

rel-N-[(3aR,4R,5R,7R,7aS)-2-[4-Cyano-3-(trifluoromethyl)phenyl]octahydro-4,7-dimethyl-1,3-dioxo-4,7-epoxy-1H-isoindol-5-yl]ethanesulfonamide

Description:

The chemical substance known as rel-N-[(3aR,4R,5R,7R,7aS)-2-[4-Cyano-3-(trifluoromethyl)phenyl]octahydro-4,7-dimethyl-1,3-dioxo-4,7-epoxy-1H-isoindol-5-yl]ethanesulfonamide, with the CAS number 573738-99-5, is a complex organic compound characterized by its unique structural features, including a sulfonamide functional group and a bicyclic isoindole framework. The presence of a cyano group and a trifluoromethyl group suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals. The stereochemistry indicated by the rel- prefix and the specific chiral centers suggests that the compound may exhibit specific biological activities or interactions, which are often influenced by the spatial arrangement of atoms. Additionally, the compound's dioxo and epoxy functionalities may contribute to its reactivity and stability under various conditions. Overall, this substance represents a class of compounds that may have significant implications in drug design and development, particularly in targeting specific biological pathways or mechanisms.

Formula: C₂₀H₂₀F₃N₃O₅S

InChI: InChI=1/C20H20F3N3O5S/c1-4-32(29,30)25-13-8-18(2)14-15(19(13,3)31-18)17(28)26(16(14)27)11-6-5-10(9-24)12(7-11)20(21,22)23/h5-7,13-15,25H,4,8H2,1-3H3/t13-,14-,15+,18-,19+/s2

InChI key: InChIKey=HYNANJUKEMCYEQ-NDNZUXARNA-N

SMILES: C[C@@]12[C@@]3([C@]([C@@](C)(O1)[C@H](NS(CC)(=O)=O)C2)(C(=O)N(C3=O)C4=CC(C(F)(F)F)=C(C#N)C=C4)[H])[H]

Synonyms:

• N-((3aR*,4R*,5R*,7R*,7aS*)-2-(4-Cyano-3-(trifluoromethyl)phenyl)-4,7-dimethyl-1,3-dioxooctahydro-1H-4,7-epoxyisoindol-5-yl)ethanesulfonamide
• rel-N-[(3aR,4R,5R,7R,7aS)-2-[4-Cyano-3-(trifluoromethyl)phenyl]octahydro-4,7-dimethyl-1,3-dioxo-4,7-epoxy-1H-isoindol-5-yl]ethanesulfonamide
• BMS 641988
• Ethanesulfonamide, N-[(3aR,4R,5R,7R,7aS)-2-[4-cyano-3-(trifluoromethyl)phenyl]octahydro-4,7-dimethyl-1,3-dioxo-4,7-epoxy-1H-isoindol-5-yl]-, rel-

BMS 641988

CAS: 573738-99-5

Androgen receptor (AR) antagonist

Formula: C₂₀H₂₀F₃N₃O₅S

Purity: Min. 95%

Molecular weight: 471.45 g/mol

Ref: 3D-FB167336

(rel)-BMS-641988

CAS: 573738-99-5

(rel)-BMS-641988, a relative configuration of the potent nonsteroidal androgen receptor antagonist BMS-641988, holds potential for prostate cancer research.

Formula: C₂₀H₂₀F₃N₃O₅S

Purity: 98%

Color and Shape: Solid

Molecular weight: 471.45

Ref: TM-T71670