CAS 1035227-44-1

Propanamide, N-cyclohexyl-3-[[2-(3,4-dichlorophenyl)ethyl]amino]-N-[2-[[2-(3,4-dihydro-5-hydroxy-3-oxo-2H-1,4-benzoxazin-8-yl)ethyl]amino]ethyl]-, 2,2,2-trifluoroacetate (1:2)

Description:

Propanamide, N-cyclohexyl-3-[[2-(3,4-dichlorophenyl)ethyl]amino]-N-[2-[[2-(3,4-dihydro-5-hydroxy-3-oxo-2H-1,4-benzoxazin-8-yl)ethyl]amino]ethyl]-, 2,2,2-trifluoroacetate (1:2), identified by CAS number 1035227-44-1, is a complex organic compound characterized by its multi-functional structure. It features a propanamide backbone, which is indicative of its potential as an amide derivative, and includes cyclohexyl and dichlorophenyl groups that suggest hydrophobic characteristics and possible biological activity. The presence of trifluoroacetate indicates a strong electronegative influence, which may enhance solubility in polar solvents and affect its reactivity. The compound's intricate arrangement of amino groups and aromatic systems suggests potential interactions with biological targets, making it of interest in medicinal chemistry. Its molecular structure may confer specific pharmacological properties, possibly influencing its efficacy and safety profile in therapeutic applications. Overall, this compound exemplifies the complexity often found in drug design, where multiple functional groups are strategically incorporated to achieve desired biological effects.

Formula: C₂₉H₃₈Cl₂N₄O₄·2C₂HF₃O₂

InChI: InChI=1S/C29H38Cl2N4O4.C2HF3O2/c30-23-8-6-20(18-24(23)31)10-13-32-15-12-27(38)35(22-4-2-1-3-5-22)17-16-33-14-11-21-7-9-25(36)28-29(21)39-19-26(37)34-28;3-2(4,5)1(6)7/h6-9,18,22,32-33,36H,1-5,10-17,19H2,(H,34,37);(H,6,7)

InChI key: InChIKey=XWGWBOOOKSMRJV-UHFFFAOYSA-N

SMILES: C(CNCCN(C(CCNCCC1=CC(Cl)=C(Cl)C=C1)=O)C2CCCCC2)C3=C4C(=C(O)C=C3)NC(=O)CO4.C(C(O)=O)(F)(F)F

Synonyms:

• Propanamide, N-cyclohexyl-3-[[2-(3,4-dichlorophenyl)ethyl]amino]-N-[2-[[2-(3,4-dihydro-5-hydroxy-3-oxo-2H-1,4-benzoxazin-8-yl)ethyl]amino]ethyl]-, 2,2,2-trifluoroacetate (1:2)

AZ505 ditrifluoroacetate

CAS: 1035227-44-1

Formula: C₃₃H₄₀Cl₂F₆N₄O₈

Purity: 98%

Color and Shape: Solid

Molecular weight: 805.5891

Ref: IN-DA008TDO

AZ505 ditrifluoroacetate

CAS: 1035227-44-1

AZ505 ditrifluoroacetate is an effective and selective SMYD2 inhibitor (IC50: 0.12 μM).

Formula: C₃₃H₄₀Cl₂F₆N₄O₈

Color and Shape: Solid

Molecular weight: 805.59

Ref: TM-T10427

AZ505 ditrifluoroacetate

CAS: 1035227-44-1

N-Cyclohexyl-3-((3,4-dichlorophenethyl)amino)-N-(2-((2-(5-hydroxy-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-8-yl)ethyl)amino)ethyl)propanamide bis(2,2,2-trifluoroacetate)

Formula: C₃₃H₄₀Cl₂F₆N₄O₈

Purity: 98%

Molecular weight: 805.59

Ref: IN-DG629846