CAS 40106-31-8

1,5,6,7,8,9-Hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one

Description:

1,5,6,7,8,9-Hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one is a heterocyclic compound characterized by its complex bicyclic structure, which incorporates both sulfur and nitrogen atoms. This compound features a fused ring system that includes a thieno and pyrimidin moiety, contributing to its unique chemical properties. It is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. The presence of multiple rings and heteroatoms often influences its reactivity, making it a candidate for various chemical reactions, including nucleophilic substitutions and cycloadditions. Additionally, compounds of this type may possess biological activity, potentially serving as intermediates in the synthesis of pharmaceuticals or agrochemicals. Its specific applications and interactions would depend on further studies, including its stability, reactivity, and potential biological effects. As with many heterocycles, the electronic properties and steric factors play a crucial role in determining its behavior in chemical reactions and interactions with biological systems.

Formula: C₁₁H₁₂N₂OS

InChI: InChI=1S/C11H12N2OS/c14-10-9-7-4-2-1-3-5-8(7)15-11(9)13-6-12-10/h6H,1-5H2,(H,12,13,14)

InChI key: InChIKey=SMKVVKXYWCYSDN-UHFFFAOYSA-N

SMILES: O=C1C=2C3=C(SC2NC=N1)CCCCC3

Synonyms:

• 1,5,6,7,8,9-Hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
• 4H-Cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one, 1,5,6,7,8,9-hexahydro-
• 4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one, 3,5,6,7,8,9-hexahydro-
• 3,5,6,7,8,9-Hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one

8-Thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-3-one

CAS: 40106-31-8

8-Thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-3-one is a synthetic antifungal molecule with inhibitory properties against the growth of fungi. This compound inhibits the biosynthesis of ergosterol, an essential component of the fungal cell membrane, by inhibiting the enzyme squalene epoxidase. 8-Thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-3-one has been shown to be effective in killing Candida albicans and other species of pathogenic fungi in cell culture and animal models.

Formula: C₁₁H₁₂N₂OS

Purity: Min. 95%

Molecular weight: 220.29 g/mol

Ref: 3D-QBA10631