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CAS 847358-99-0

:

(2S)-N-(1-Cyanocyclopropyl)-4-fluoro-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]amino]pentanamide

Description:
The chemical substance with the name "(2S)-N-(1-Cyanocyclopropyl)-4-fluoro-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]amino]pentanamide" and CAS number "847358-99-0" is a complex organic compound characterized by its specific stereochemistry and functional groups. It features a pentanamide backbone, which is modified with a cyanocyclopropyl group and a trifluoroethyl moiety, indicating potential biological activity. The presence of a fluorine atom suggests enhanced lipophilicity and metabolic stability, while the dioxaborolane group may contribute to its reactivity and potential applications in medicinal chemistry. This compound is likely to be of interest in pharmaceutical research, particularly in the development of targeted therapies, due to its intricate structure and the presence of multiple functional groups that can interact with biological targets. Its unique characteristics may also influence its solubility, stability, and overall pharmacokinetic properties, making it a candidate for further investigation in drug development.
Formula:C24H32BF4N3O3
InChI:InChI=1S/C24H32BF4N3O3/c1-20(2,26)13-17(19(33)32-23(14-30)11-12-23)31-18(24(27,28)29)15-7-9-16(10-8-15)25-34-21(3,4)22(5,6)35-25/h7-10,17-18,31H,11-13H2,1-6H3,(H,32,33)/t17-,18-/m0/s1
InChI key:InChIKey=DLJBEDIKUKPANW-ROUUACIJSA-N
SMILES:N(C([C@@H](N[C@H]([C@](F)(F)F)C1=CC=C(C=C1)B2OC(C)(C)C(C)(C)O2)CC(C)(C)F)=O)C3(C#N)CC3
Synonyms:
  • (2S)-N-(1-Cyanocyclopropyl)-4-fluoro-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]amino]pentanamide
  • Pentanamide, N-(1-cyanocyclopropyl)-4-fluoro-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]amino]-, (2S)-
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