CAS 863680-46-0

(1S,5R)-1-[2-Fluoro-4-(trifluoromethyl)phenyl]-3-[3-[[4-methyl-5-(4-methyl-5-oxazolyl)-4H-1,2,4-triazol-3-yl]thio]propyl]-3-azabicyclo[3.1.0]hexane

Description:

The chemical substance with the name "(1S,5R)-1-[2-Fluoro-4-(trifluoromethyl)phenyl]-3-[3-[[4-methyl-5-(4-methyl-5-oxazolyl)-4H-1,2,4-triazol-3-yl]thio]propyl]-3-azabicyclo[3.1.0]hexane" and CAS number "863680-46-0" is a complex organic compound characterized by its unique bicyclic structure and multiple functional groups. It features a trifluoromethyl-substituted phenyl ring and a thioether linkage to a triazole moiety, which contributes to its potential biological activity. The presence of fluorine atoms enhances its lipophilicity and may influence its pharmacokinetic properties. The stereochemistry indicated by the (1S,5R) configuration suggests specific spatial arrangements that can affect the compound's interaction with biological targets, potentially leading to selective activity. This compound may be of interest in medicinal chemistry, particularly in the development of pharmaceuticals, due to its intricate structure and the presence of heteroatoms that can participate in various chemical interactions. Further studies would be necessary to elucidate its specific properties, including solubility, stability, and biological efficacy.

Formula: C₂₂H₂₃F₄N₅OS

InChI: InChI=1S/C22H23F4N5OS/c1-13-18(32-12-27-13)19-28-29-20(30(19)2)33-7-3-6-31-10-15-9-21(15,11-31)16-5-4-14(8-17(16)23)22(24,25)26/h4-5,8,12,15H,3,6-7,9-11H2,1-2H3/t15-,21-/m0/s1

InChI key: InChIKey=ZKRWPAYTJMRKLJ-BTYIYWSLSA-N

SMILES: FC1=C([C@@]23[C@@](C2)(CN(CCCSC=4N(C)C(=NN4)C5=C(C)N=CO5)C3)[H])C=CC(C(F)(F)F)=C1

Synonyms:

• (1S,5R)-1-[2-Fluoro-4-(trifluoromethyl)phenyl]-3-[3-[[4-methyl-5-(4-methyl-5-oxazolyl)-4H-1,2,4-triazol-3-yl]thio]propyl]-3-azabicyclo[3.1.0]hexane
• 3-Azabicyclo[3.1.0]hexane, 1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[3-[[4-methyl-5-(4-methyl-5-oxazolyl)-4H-1,2,4-triazol-3-yl]thio]propyl]-, (1S,5R)-
• (1S,5R)-1-[2-Fluoro-4-(trifluoromethyl)phenyl]-3-[3-[[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]thio]propyl]-3-azabicyclo[3.1.0]hexane

3-Azabicyclo[3.1.0]hexane, 1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[3-[[4-methyl-5-(4-methyl-5-oxazolyl)-4H-1,2,4-triazol-3-yl]thio]propyl]-, (1S,5R)-

CAS: 863680-46-0

Formula: C₂₂H₂₃F₄N₅OS

Purity: 95%

Color and Shape: Solid

Molecular weight: 481.5095

Ref: IN-DA01ORNB

5-(5-((3-((1S,5R)-1-(2-Fluoro-4-(trifluoromethyl)phenyl)-3-azabicyclo[3.1.0]hexan-3-yl)propyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)-4-methyloxazole

CAS: 863680-46-0

5-(5-((3-((1S,5R)-1-(2-Fluoro-4-(trifluoromethyl)phenyl)-3-azabicyclo[3.1.0]hexan-3-yl)propyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)-4-methyloxazole

Purity: 95%

Molecular weight: 481.52g/mol

Ref: 54-PC1003886

(-)-GSK598809

CAS: 863680-46-0

(-)-GSK598809 is an isomer of GSK598809 that is a potent and selective antagonist of dopamine D3 Receptor.

Formula: C₂₂H₂₃F₄N₅OS

Purity: 98%

Color and Shape: Solid

Molecular weight: 481.51

Ref: TM-T10062