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70762-66-2

70762-66-2 Structure

70762-66-2 Structure
IdentificationBack Directory
[Name]

chinifur
[CAS]

70762-66-2
[Synonyms]

chinifur
N-[4-(diethylamino)-1-methylbutyl]-2-[(E)-2-(5-nitrofuran-2-...
2-[2-(5-Nitropyryl-2)ethenyl]-4-synolin carbonoic acid-1-diethylamino-4-pentylamide
N-(5-(Diethylamino)pentan-2-yl)-2-(2-(5-nitrofuran-2-yl)vinyl)quinoline-4-carboxamide
N-[1-Methyl-4-(diethylamino)butyl]-2-[2-(5-nitro-2-furanyl)ethenyl]quinoline-4-carboxamide
N-[1-Methyl-4-(diethylamino)butyl]-2-[2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxamide
N-[5-(diethylamino)pentan-2-yl]-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxamide
4-Quinolinecarboxamide,N-[4-(diethylamino)-1-methylbutyl]-2-[2-(5-nitro-2-furanyl)ethenyl]-
[Molecular Formula]

C25H30N4O4
[MOL File]

70762-66-2.mol
[Molecular Weight]

450.53
Chemical PropertiesBack Directory
[Boiling point ]

621.7±55.0 °C(Predicted)
[density ]

1.202±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO: 5 mg/mL (11.10 mM);Ethanol: 2 mg/mL (4.44 mM)
[pka]

13.21±0.46(Predicted)
[Water Solubility ]

Water: Insoluble
[InChIKey]

MTHCJDYSIZMKAC-UHFFFAOYSA-N
[SMILES]

N1C2C(=CC=CC=2)C(C(NC(C)CCCN(CC)CC)=O)=CC=1C=CC1=CC=C([N+]([O-])=O)O1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Hazard InformationBack Directory
[Uses]

Chinifur (Quinifuryl), a Nitrofuran derivative, is a selective inhibitor of trypanothione reductase and also a radical-generating substrate for trypanothione reductase (Ki = 4.5 μM)[1][2].
[References]

[1] Iribarne F, et al. Interaction energies of nitrofurans with trypanothione reductase and glutathione reductase studied by molecular docking[J]. Journal of Molecular Structure: THEOCHEM, 2007, 818(1-3): 7-22.
[2] Cenas N, et al. Chinifur, a selective inhibitor and" subversive substrate" for Trypanosoma congolense trypanothione reductase[J]. Biochemical and biophysical research communications, 1994, 204(1): 224-229. DOI:10.1006/bbrc.1994.2448
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