CAS 189197-69-1: (4-Bromophenyl)[2-fluoro-4-[[6-(methyl-2-propen-1-ylamino)hexyl]oxy]phenyl]methanone (2E)-2-butenedioate (1:1)

Description: The chemical substance known as (4-Bromophenyl)[2-fluoro-4-[[6-(methyl-2-propen-1-ylamino)hexyl]oxy]phenyl]methanone (2E)-2-butenedioate (1:1), with CAS number 189197-69-1, is a complex organic compound characterized by its multi-functional structure. It features a bromophenyl group, a fluoro-substituted phenyl moiety, and a methanone functional group, indicating potential reactivity and applications in organic synthesis. The presence of a butenedioate moiety suggests it may participate in various chemical reactions, including conjugate addition or Michael addition. Additionally, the compound contains a hexyl chain with an amino group, which may enhance its solubility and biological activity. This structure implies potential uses in pharmaceuticals or agrochemicals, particularly due to the presence of the bromine and fluorine atoms, which can influence the compound's electronic properties and reactivity. Overall, the compound's unique combination of functional groups and substituents may confer interesting chemical behavior and potential applications in various fields, including medicinal chemistry and materials science.

Formula: C₂₃H₂₇BrFNO₂·C₄H₄O₄

InChI: InChI=1S/C23H27BrFNO2.C4H4O4/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18;5-3(6)1-2-4(7)8/h3,8-13,17H,1,4-7,14-16H2,2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChI key: InChIKey=XCYAYLWZCRGKDS-WLHGVMLRSA-N

SMILES: O=C(O)C=CC(=O)O.O=C(C1=CC=C(Br)C=C1)C2=CC=C(OCCCCCCN(C)CC=C)C=C2F

Synonyms:

• Methanone, (4-bromophenyl)[2-fluoro-4-[[6-(methyl-2-propen-1-ylamino)hexyl]oxy]phenyl]-, (2E)-2-butenedioate (1:1)
• Ro 48-8071
• Methanone, (4-bromophenyl)[2-fluoro-4-[[6-(methyl-2-propenylamino)hexyl]oxy]phenyl]-, (2E)-2-butenedioate (1:1)
• (4-Bromophenyl)[2-fluoro-4-[[6-(methyl-2-propen-1-ylamino)hexyl]oxy]phenyl]methanone (2E)-2-butenedioate (1:1)
• Methanone, (4-bromophenyl)[2-fluoro-4-[[6-(methyl-2-propenylamino)hexyl]oxy]phenyl]-, (E)-2-butenedioate (1:1)

Ro 48-8071 fumarate

CAS: 189197-69-1

• Formula: C₂₇H₃₁BrFNO₆
• Purity: 98%
• Color and Shape: Solid
• Molecular weight: 564.4405

Ro 48-8071 fumarate

CAS: 189197-69-1

• Formula: C₂₃H₂₇NO₂BrF·C₄H₄O₄
• Purity: ≥ 98.0%
• Color and Shape: Off-white to pale yellow solid
• Molecular weight: 564.44

Ro 48-8071 fumarate

CAS: 189197-69-1

Ro 48-8071 fumarate is an inhibitor of OSC(Oxidosqualene cyclase; IC50=6.5 nM) that has low-density lipoprotein …

• Formula: C₂₇H₃₁BrFNO₆
• Purity: 100% - 99.32%
• Color and Shape: Solid
• Molecular weight: 564.44

Ro 48-8071 fumarate

CAS: 189197-69-1

Inhibitor of oxidosqualene cyclase; anti-cholesteremic agent

• Formula: C₂₃H₂₇BrFNO₂•C₄H₄O₄
• Purity: Min. 95%
• Molecular weight: 564.44 g/mol