CAS 229005-80-5

N-[[4-[[[6,7-Dihydro-2-(4-methylphenyl)-5H-benzocyclohepten-8-yl]carbonyl]amino]phenyl]methyl]tetrahydro-N,N-dimethyl-2H-pyran-4-aminium chloride (1:1)

Description:

N-[[4-[[[6,7-Dihydro-2-(4-methylphenyl)-5H-benzocyclohepten-8-yl]carbonyl]amino]phenyl]methyl]tetrahydro-N,N-dimethyl-2H-pyran-4-aminium chloride (1:1), with CAS number 229005-80-5, is a complex organic compound characterized by its unique structural features, including a tetrahydro-pyran moiety and a benzocycloheptene framework. This compound exhibits quaternary ammonium characteristics due to the presence of a dimethylamino group, which contributes to its solubility in polar solvents. The presence of multiple aromatic rings suggests potential for π-π stacking interactions, which may influence its biological activity and stability. The compound's chloride salt form indicates it is likely to be more soluble in aqueous environments, enhancing its potential applications in pharmaceutical formulations. Additionally, the presence of carbonyl and amino functional groups suggests reactivity that could be exploited in further chemical modifications or in biological interactions. Overall, this compound's intricate structure and functional groups may confer specific pharmacological properties, making it of interest in medicinal chemistry and drug development.

Formula: C₃₃H₃₉N₂O₂·Cl

InChI: InChI=1/C33H38N2O2.ClH/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32;/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3;1H

InChI key: InChIKey=VDALIBWXVQVFGZ-UHFFFAOYSA-N

SMILES: C(NC1=CC=C(C[N+](C)(C)C2CCOCC2)C=C1)(=O)C3=CC=4C(=CC=C(C4)C5=CC=C(C)C=C5)CCC3.[Cl-]

Synonyms:

• 2H-Pyran-4-aminium, N-[[4-[[[6,7-dihydro-2-(4-methylphenyl)-5H-benzocyclohepten-8-yl]carbonyl]amino]phenyl]methyl]tetrahydro-N,N-dimethyl-, chloride
• 2H-Pyran-4-aminium, N-[[4-[[[6,7-dihydro-2-(4-methylphenyl)-5H-benzocyclohepten-8-yl]carbonyl]amino]phenyl]methyl]tetrahydro-N,N-dimethyl-, chloride (1:1)
• N,N-dimethyl-N-[4-({[2-(4-methylphenyl)-6,7-dihydro-5H-benzo[7]annulen-8-yl]carbonyl}amino)benzyl]tetrahydro-2H-pyran-4-aminium chloride
• N-[[4-[[[6,7-Dihydro-2-(4-methylphenyl)-5H-benzocyclohepten-8-yl]carbonyl]amino]phenyl]methyl]tetrahydro-N,N-dimethyl-2H-pyran-4-aminium chloride (1:1)
• Tak 799
• Tak-779
• Takeda 779
• 2H-Oyran-4-aminium, N-((4-(((6,7-dihydro-2-(4-methylphenyl)-5H-benzocyclohepten-8-yl)carbonyl)amino)phenyl)methyl)tetrahydro-N,N-dimethyl-
• CS-2889
• TAK-779 Chemical Structure
• TAK-779 >=98% (HPLC)
• TAK 799 ;TAK 779
• TAK-779;TAK 779;TAK779
• N,N-Dimethyl-N-[4-[[[2-(4-methylphenyl)-6,7-dihydro-5H-benzohepten-8-yl]carbonyl]amino]benzyl]tetrahydro-2H-pyran-4-aminium chloride
• TAK779;TAK 799;TAKEDA 779
• N,N-Dimethyl-N-(4-(((2-(4-methylphenyl)-6,7-dihydro-5H-benzocyclohepten-8-yl)carbonyl)amino)benzyl)tetrahydro-2H-pyran-4-aminium chloride
• TAK-779(Cl)

Tak 799

CAS: 229005-80-5

Formula: C₃₃H₃₉ClN₂O₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 531.1280

Ref: IN-DA00BF4R

TAK-779

CAS: 229005-80-5

TAK-779

Purity: ≥98%

Molecular weight: 531.13g/mol

Ref: 54-BUP02441

TAK-779

CAS: 229005-80-5

TAK-779 (Takeda 779) is an antagonist of chemokine receptor 5 (CCR5), CCR2b, and CXC chemokine receptor 3 (CXCR3).

Formula: C₃₃H₃₉ClN₂O₂

Purity: 99.21%

Color and Shape: Solid

Molecular weight: 531.13

Ref: TM-T7499