CAS 136164-66-4

(2E)-2-[(4,5-Dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)methylene]undecanoic acid

Description:

The chemical substance known as (2E)-2-[(4,5-Dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)methylene]undecanoic acid, with the CAS number 136164-66-4, is a complex organic compound characterized by its unique structural features. It contains a long undecanoic acid chain, which contributes to its fatty acid properties, while the presence of a cyclohexadienone moiety introduces significant reactivity and potential biological activity. The dimethoxy and methyl substituents enhance its lipophilicity and may influence its interaction with biological membranes. This compound may exhibit interesting pharmacological properties due to its structural motifs, making it a candidate for further research in medicinal chemistry. Its synthesis and characterization would typically involve standard organic reactions, including condensation and functional group transformations. The presence of multiple functional groups suggests potential for various chemical reactions, including esterification and acylation. Overall, this compound's unique structure and functional groups make it a subject of interest in both synthetic and medicinal chemistry.

Formula: C₂₁H₃₀O₆

InChI: InChI=1S/C21H30O6/c1-5-6-7-8-9-10-11-12-15(21(24)25)13-16-14(2)17(22)19(26-3)20(27-4)18(16)23/h13H,5-12H2,1-4H3,(H,24,25)/b15-13+

InChI key: InChIKey=AALSSIXXBDPENJ-FYWRMAATSA-N

SMILES: C(=C(\CCCCCCCCC)/C(O)=O)\C=1C(=O)C(OC)=C(OC)C(=O)C1C

Synonyms:

• Undecanoic acid, 2-[(4,5-dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)methylene]-, (E)-
• (2E)-2-[(4,5-Dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)methylene]undecanoic acid
• Undecanoic acid, 2-[(4,5-dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)methylene]-, (2E)-
• E 3330
• APX 3330

E3330

CAS: 136164-66-4

E3330

Formula: C₂₁H₃₀O₆

Purity: ≥98%

Color and Shape: Solid

Molecular weight: 378.46

Ref: 54-BUP15220

E3330

CAS: 136164-66-4

(E)-2-((4,5-Dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methylene)undecanoic acid

Formula: C₂₁H₃₀O₆

Purity: 98%

Molecular weight: 378.46

Ref: IN-DG755792

E3330

CAS: 136164-66-4

E3330 is a potent and selective APE1(Ref-1) inhibitor, which suppressed NF-kappa B DNA-binding activity.

Formula: C₂₁H₃₀O₆

Purity: 99.52%

Color and Shape: Solid

Molecular weight: 378.46

Ref: TM-T6823