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 분자식: C₁₅H₁₃N₃O₄S 분자량: 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

동의어

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

사양 및 순도

Moligand™, ≥98%(HPLC)

생화학 및 생리적 메커니즘

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.

보관 조건

Protected from light,Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

ANTAGONIST

작동 메커니즘

Antagonist of Hepatocyte nuclear factor-4-α

순수함

≥98%(HPLC)

이름과 식별자

• Pubchem Sid: 504762517
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762517
• 정식 스마일: 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
• 이성체 SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2C(=NC3=CC=CC=C32)C
• 분자량: 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
    • 분류 Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

관련 대상(인간)

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)

작용 메커니즘

화학 및 물리적 특성

• 용해성: Solvent:DMSO, Max Conc. mg/mL: 6.63, Max Conc. mM: 20
• 감도: light sensitive
• 분자량: 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

자주 묻는 질문

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.