CAS 502487-67-4

N1-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-N2-tricyclo[3.3.1.13,7]dec-2-yl-1,2-ethanediamine

Description:

N1-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-N2-tricyclo[3.3.1.13,7]dec-2-yl-1,2-ethanediamine, with CAS number 502487-67-4, is a complex organic compound characterized by its unique structural features, including a tricyclic framework and a long aliphatic side chain. This compound belongs to the class of amines, specifically diamines, due to the presence of two amine functional groups. The presence of the dimethylated octadiene moiety suggests potential reactivity and interactions typical of unsaturated hydrocarbons, which may influence its biological activity and chemical behavior. The tricyclic structure contributes to its rigidity and may affect its conformational properties, potentially impacting its solubility and interaction with biological targets. Such compounds are often studied for their potential applications in pharmaceuticals, agrochemicals, or as intermediates in organic synthesis. Understanding the physicochemical properties, such as solubility, stability, and reactivity, is crucial for evaluating its practical applications and safety profile in various fields.

Formula: C₂₂H₃₈N₂

InChI: InChI=1S/C22H38N2/c1-16(2)5-4-6-17(3)7-8-23-9-10-24-22-20-12-18-11-19(14-20)15-21(22)13-18/h5,7,18-24H,4,6,8-15H2,1-3H3/b17-7+

InChI key: InChIKey=JFIBVDBTCDTBRH-REZTVBANSA-N

SMILES: N(CCNC/C=C(/CCC=C(C)C)\C)C1C2CC3CC1CC(C2)C3

Synonyms:

• 1,2-Ethanediamine, N1-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-N2-tricyclo[3.3.1.13,7]dec-2-yl-
• 1,2-Ethanediamine, N-[(2E)-3,7-dimethyl-2,6-octadienyl]-N′-tricyclo[3.3.1.13,7]dec-2-yl-
• SQ 109
• NSC 722041
• N1-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-N2-tricyclo[3.3.1.13,7]dec-2-yl-1,2-ethanediamine
• N1-((1R,3S,5r,7r)-adamantan-2-yl)-N2-((E)-3,7-dimethylocta-2,6-dien-1-yl)ethane-1,2-diamine
• Cenobamate
• SQ109 (NSC 722041)
• N'-(2-adamantyl)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]ethane-1,2-diamine
• N-[(2E)-3,7-Dimethyl-2,6-octadienyl]-N'-tricyclo[3.3.1.1(3,7)]dec-2-yl-1,2-ethanediamine
• SQ109 >=98% (HPLC)

SQ 109

CAS: 502487-67-4

Formula: C₂₂H₃₈N₂

Purity: 98%

Color and Shape: Liquid

Molecular weight: 330.5505

Ref: IN-DA00DB7K

SQ109

CAS: 502487-67-4

SQ109

Purity: ≥98%

Molecular weight: 330.55g/mol

Ref: 54-BUP12805

SQ 109 Deuterated

Controlled Product

CAS: 502487-67-4

Formula: C₂₂H₃₄D₄N₂

Color and Shape: Neat

Molecular weight: 334.58

Ref: TR-S683740

SQ109

CAS: 502487-67-4

SQ109 (NSC-722041) is an effective inhibitor of the trypomastigote form of the parasite (IC50 = 50 nM). SQ109 is an antitubercular agent and targets MmpL3.

Formula: C₂₂H₃₈N₂

Purity: 99.70% - 99.91%

Color and Shape: Solid

Molecular weight: 330.55

Ref: TM-T16925