CAS 1642300-78-4

(αZ)-α-[[3-[3,5-Bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]methylene]-5-pyrimidineacetamide

Description:

The chemical substance known as (αZ)-α-[[3-[3,5-Bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]methylene]-5-pyrimidineacetamide, with CAS number 1642300-78-4, is characterized by its complex molecular structure, which includes a pyrimidine ring and a triazole moiety. This compound features multiple trifluoromethyl groups, which enhance its lipophilicity and potentially influence its biological activity. The presence of the triazole ring suggests potential applications in pharmaceuticals, particularly as a fungicide or in other agrochemical formulations, due to its ability to interact with biological targets. The specific stereochemistry indicated by the (αZ) designation implies a particular geometric configuration that may affect the compound's reactivity and interaction with biological systems. Overall, this substance is of interest in medicinal chemistry and agricultural science, where its unique structural features may contribute to its efficacy and specificity in various applications.

Formula: C₁₇H₁₀F₆N₆O

InChI: InChI=1S/C17H10F6N6O/c18-16(19,20)11-1-9(2-12(3-11)17(21,22)23)15-27-8-29(28-15)6-13(14(24)30)10-4-25-7-26-5-10/h1-8H,(H2,24,30)/b13-6-

InChI key: InChIKey=JFBAVWVBLRIWHM-MLPAPPSSSA-N

SMILES: C(F)(F)(F)C=1C=C(C=C(C(F)(F)F)C1)C2=NN(/C=C(\C(N)=O)/C=3C=NC=NC3)C=N2

Synonyms:

• (αZ)-α-[[3-[3,5-Bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]methylene]-5-pyrimidineacetamide
• 5-Pyrimidineacetamide, α-[[3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]methylene]-, (αZ)-
• (Z)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-2-(pyrimidin-5-yl)acrylamide

Eltanexor Z-isomer

CAS: 1642300-78-4

Eltanexor Z-isomer, less active than KPT-8602, inhibits Z138, MM1S, and 3T3 cells with IC50s: 100 nM-50 μM, <100 nM, >30 μM.

Formula: C₁₇H₁₀F₆N₆O

Color and Shape: Solid

Molecular weight: 428.29

Ref: TM-T11766