BI 6015 - Moligand™, ≥98%(HPLC) , Antagonist of Hepatocyte nuclear factor-4-α, CAS No.93987-29-2, Antagonist of Hepatocyte nuclear factor-4-α

CAS: 93987-29-2 Cat. No.: B287789 Molecular Weight: 331.35

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

BI6015 | bi-6015 | GTPL6695 | 2-methyl-1-(2-methyl-5-nitrobenzenesulfonyl)-1H-1,3-benzodiazole | HY-108469 | EX-A7599 | 2-methyl-1-[(2-methyl-5-nitrophenyl)sulfonyl]-1H-benzimidazole | Q27075218 | Z276545864 | 2-methyl-1-(2-methyl-5-nitrophenyl)sulfonylbe

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

BI6015 | bi-6015 | GTPL6695 | 2-methyl-1-(2-methyl-5-nitrobenzenesulfonyl)-1H-1, 3-benzodiazole | HY-108469 | EX-A7599 | 2-methyl-1-[(2-methyl-5-nitrophenyl)sulfonyl]-1H-benzimidazole | Q27075218 | Z276545864 | 2-methyl-1-(2-methyl-5-nitrophenyl)sulfonylbe

Specifications & Purity

Moligand™, ≥98%(HPLC)

Biochemical and Physiological Mechanisms

Hepatocyte nuclear factor 4α(HNF4α) antagonist. Represses expression of known HNF4αtarget genes. Decreases HNF4αDNA binding. Exhibits cytotoxic activity in a range of tumor cell lines, including human hepatocellular carcinoma.

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of Hepatocyte nuclear factor-4-α

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504762517
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762517
• Canonical Smiles: CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2C(=NC3=CC=CC=C32)C
• IUPAC Name: 2-methyl-1-(2-methyl-5-nitrophenyl)sulfonylbenzimidazole
• InChIKey: ILVCPQPMRPHZSG-UHFFFAOYSA-N
• INCHI: 1S/C15H13N3O4S/c1-10-7-8-12(18(19)20)9-15(10)23(21,22)17-11(2)16-13-5-3-4-6-14(13)17/h3-9H,1-2H3
• Isomeric SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2C(=NC3=CC=CC=C32)C
• Molecular Weight: 331.35
• Reaxy-Rn: 627036
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=627036&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds Benzimidazoles Nitrotoluenes Nitrobenzenes Nitroaromatic compounds N-substituted imidazoles Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzenesulfonamide - Benzimidazole - Benzenesulfonyl group - Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Toluene - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Organic salt - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

HNF4A Tchem Hepatocyte nuclear factor 4-alpha (0 Activities)

Discover Target: HNF4A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 6.63, Max Conc. mM: 20
• Sensitivity: light sensitive
• Molecular Weight: 331.300 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 331.063 Da
• Monoisotopic Mass: 331.063 Da
• Topological Polar Surface Area: 106.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 556.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1