ChemicalBook--->CAS DataBase List--->337506-43-1

337506-43-1

337506-43-1 Structure

337506-43-1 Structure
IdentificationBack Directory
[Name]

1-[(2-Chloro-5-nitrophenyl)sulfonyl]-2-methyl-1H-benzimidazole
[CAS]

337506-43-1
[Synonyms]

BIM5078
BIM5078 Exclusive
BIM5078 >=98% (HPLC)
1-(2-chloro-5-nitrophenyl)sulfonyl-2-methylbenzimidazole
1-(2′-Chloro-5′-nitrobenzenesulfonyl)-2-methylbenzimidazole
1-[(2-Chloro-5-nitrophenyl)sulfonyl]-2-methyl-1H-benzimidazole
1H-Benzimidazole, 1-[(2-chloro-5-nitrophenyl)sulfonyl]-2-methyl-
[Molecular Formula]

C14H10ClN3O4S
[MDL Number]

MFCD01173148
[MOL File]

337506-43-1.mol
[Molecular Weight]

351.76
Chemical PropertiesBack Directory
[Boiling point ]

573.1±60.0 °C(Predicted)
[density ]

1.58±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMSO: soluble10mg/mL, clear (warmed)
[form ]

powder
[pka]

0.49±0.10(Predicted)
[color ]

white to beige
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

25
[Safety Statements ]

45
[RIDADR ]

UN 2811 6.1 / PGIII
[WGK Germany ]

3
Hazard InformationBack Directory
[Description]

HNF4α is a nuclear receptor transcription factor that controls the expression of many genes including those involved in glucose and lipid homeostasis and maintenance of epithelial differentiation. BIM5078 is an HNF4α antagonist that can repress the expression of known HNF4α target genes, inhibiting endogenous insulin expression in T6PNE cells with an IC50 value of 930 nM. BIM5078 binds directly to the ligand binding pocket of HNF4α with an EC50 value of 11.9 nM. However, BIM5078 has unfavorable pharmacokinetic properties including low plasma and microsomal stability (8% remaining after 3 hours and 32% after 1.25 hours, respectively), high binding to plasma proteins (98% bound after 4 hours), and low solubility (0.17 mg/ml after 18 hours). BI6015 is a structural analog of BIM5078 developed for more favorable pharmacokinetics.
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