Gboxin - ≥99% , CAS No.2101315-36-8

CAS: 2101315-36-8 Cat. No.: G414204 Fórmula: C₂₂H₃₃ClN₂O₂ Peso molecular: 392.96

GRADE & PURITY ≥99%

Synonyms

HY-111651 | 2101315-36-8 | 2-ethyl-1-methyl-3-[2-[[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl]oxy]-2-oxoethyl]-1H-benzimidazolium, monochloride | Gboxin chloride | MS-26587 | Gboxin | 2-ethyl-3-methyl-1-(2-{[(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohe

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Visão geral

Information

Gboxin Gboxin is an inhibitor of oxidative phosphorylation in cancer cells. Gboxin inhibits the activity of F0F1 ATP synthase . It specifically inhibits the growth of primary mouse and human glioblastoma cells but not that of mouse embryonic fibroblasts or neonatal astrocytes.

Targets

oxidative phosphorylation ; F0F1 ATP synthase

In vitro

Gboxin rapidly and irreversibly compromises GBM oxygen consumption. Reliant on its positive charge, Gboxin associates with mitochondrial oxidative phosphorylation complexes in a proton gradient dependent manner and inhibits F0F1 ATP synthase activity. Gboxin targets unique features of mitochondrial pH in GBM and other cancer cells, independent of their genetic composition, and exerts its tumor cell specific toxicity in primary culture and in vivo.

Cell Research(from reference)

Cell lines：HTS, MEF and astrocyte cells 

Concentrations：0-15 μM 

Incubation Time：96 h 

Specifications

Sinónimos

HY-111651 | 2101315-36-8 | 2-ethyl-1-methyl-3-[2-[[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl]oxy]-2-oxoethyl]-1H-benzimidazolium, monochloride | Gboxin chloride | MS-26587 | Gboxin | 2-ethyl-3-methyl-1-(2-{[(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohe

Especificações e pureza

≥99%

Mecanismos bioquímicos e fisiológicos

Gboxin is an inhibitor of oxidative phosphorylation in cancer cells. Gboxin inhibits the activity of F0F1 ATP synthase. It specifically inhibits the growth of primary mouse and human glioblastoma cells but not that of mouse embryonic fibroblasts or neonat

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Pureza

≥99%

Propriedades do produto

• ALogP: 3.086
• hba_count: 2
• Ligação rotativa: 6

Nomes e identificadores

• Pubchem Sid: 488203025
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488203025
• Sorrisos canónicos: CCC1=[N+](C2=CC=CC=C2N1CC(=O)OC3CC(CCC3C(C)C)C)C.[Cl-]
• IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(2-ethyl-3-methylbenzimidazol-3-ium-1-yl)acetate;chloride
• InChIKey: UBWVTCCKVGOTBG-VYZBTARASA-M
• INCHI: 1S/C22H33N2O2.ClH/c1-6-21-23(5)18-9-7-8-10-19(18)24(21)14-22(25)26-20-13-16(4)11-12-17(20)15(2)3;/h7-10,15-17,20H,6,11-14H2,1-5H3;1H/q+1;/p-1/t16-,17+,20-;/m1./s1
• SMILES isoméricas: CCC1=[N+](C2=CC=CC=C2N1CC(=O)O[C@@H]3C[C@@H](CC[C@H]3C(C)C)C)C.[Cl-]
• Peso molecular: 392.96
• Reaxy-Rn: 31744812
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31744812&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Menthane monoterpenoids Bicyclic monoterpenoids Aromatic monoterpenoids Benzimidazoles N-substituted imidazoles Benzenoids Imidazolines Heteroaromatic compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboximidamides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid ester - P-menthane monoterpenoid - Monoterpenoid - Bicyclic monoterpenoid - Aromatic monoterpenoid - Benzimidazole - Benzenoid - N-substituted imidazole - Heteroaromatic compound - 2-imidazoline - Azole - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solubility (25°C) In vitro Ethanol: 79 mg/mL (201.03 mM); DMSO: 39 mg/mL (99.24 mM); Water: 2 mg/mL (5.08 mM)
• Sensibilidade: Moisture sensitive
• DMSO (mg/mL) Solubilidade máxima: 39
• DMSO (mM) Solubilidade máxima: 99.2467426710098
• Água (mg/mL) Solubilidade máxima: 2
• Água (mM) Solubilidade máxima: 5.08957654723127
• Peso molecular: 393.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 392.223 Da
• Monoisotopic Mass: 392.223 Da
• Topological Polar Surface Area: 35.100 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 481.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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: 2

XLogP3

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2101315-36-8, the molecular formula is C22H33ClN2O2, and the molecular weight is 392.96 g/mol. InChIKey UBWVTCCKVGOTBG-VYZBTARASA-M.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.