ChemicalBook--->CAS DataBase List--->79156-75-5

79156-75-5

79156-75-5 Structure

79156-75-5 Structure
IdentificationBack Directory
[Name]

1-[4-[4-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
[CAS]

79156-75-5
[Synonyms]

Nsc317629
1-[4-[4-[[2-(2
4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1
3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
1-ACETYL-4-[4-[[2-(2, 4-DICHLOROPHENYL) -2-(1H- IMIDAZOL-1-YLMETHYL)-1, 3-DIOXOL
1-[4-[4-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
1-[4-[4-[[2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]ethanone
Ethanone, 1-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]-
1-[4-[4-[[(2S,4S)-2-(2,4-dichlorophenyl)-2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]ethanone
[EINECS(EC#)]

265-667-4
[Molecular Formula]

C26H28Cl2N4O4
[MDL Number]

MFCD02929403
[MOL File]

79156-75-5.mol
[Molecular Weight]

531.43
Chemical PropertiesBack Directory
[Boiling point ]

753.4±60.0 °C(Predicted)
[density ]

1.38
[pka]

6.88±0.12(Predicted)
Hazard InformationBack Directory
[Uses]

(Rac)-Ketoconazole ((Rac)-R 41400) is an antifungal imidazole compound with oral activity. (Rac)-Ketoconazole interferes with ergosterol synthesis by inhibiting cytochrome P450-dependent 14α-sterol demethylase (CYP51), a key enzyme on the fungal cell membrane, leading to membrane dysfunction and ultimately inhibition of fungal growth and reproduction. (Rac)-Ketoconazole is indicated for studies of fungal infections[1].
[Definition]

ChEBI: 1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine is a dioxolane that is 1,3-dioxolane which is substituted at positions 2, 2, and 4 by imidazol-1-ylmethyl, 2,4-dichlorophenyl, and [para-(4-acetylpiperazin-1-yl)phenoxy]methyl groups, respectively. It is an ether, a member of imidazoles, a N-arylpiperazine, a dioxolane, a dichlorobenzene and a N-acylpiperazine.
[References]

[1] Chenge J T, et al. Structural characterization and ligand/inhibitor identification provide functional insights into the Mycobacterium tuberculosis cytochrome P450 CYP126A1[J]. Journal of Biological Chemistry, 2017, 292(4): 1310-1329. DOI:10.1074/jbc.M116.748822
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