BC 11 hydrobromide - ≥98% , CAS No.443776-49-6

CAS: 443776-49-6 Cat. No.: B274990 Peso molecular: 290.97

GRADE & PURITY ≥98%

Synonyms

Carbamimidothioic acid (4-boronophenyl)methyl ester hydrobromide

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Descripción general

BC 11 hydrobromide is a selective urokinase (uPA) inhibitor (IC50 = 8.2 μM). Exhibits no activity at 8 other related enzymes. Inhibits clot lysis with no effect on clot formation. Also decreases viability of MDA-MB231 breast cancer cells in vitro.

Specifications

Sinónimos

Carbamimidothioic acid (4-boronophenyl)methyl ester hydrobromide

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Selective urokinase (uPA) inhibitor (IC 50 = 8.2 μM). Shows selectivity over 8 other related enzymes.

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Desiccated

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: B(C1=CC=C(C=C1)CSC(=N)N)(O)O.Br
• IUPAC Name: [4-(carbamimidoylsulfanylmethyl)phenyl]boronic acid;hydrobromide
• InChIKey: PAFZAMOVHIRQOD-UHFFFAOYSA-N
• INCHI: 1S/C8H11BN2O2S.BrH/c10-8(11)14-5-6-1-3-7(4-2-6)9(12)13;/h1-4,12-13H,5H2,(H3,10,11);1H
• Isómeros SMILES: B(C1=CC=C(C=C1)CSC(=N)N)(O)O.Br
• Peso molecular: 290.97
• Reaxy-Rn: 28555026
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28555026&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Isothioureas Boronic acids Sulfenyl compounds Organic metalloid salts Carboximidamides Organometalloid compounds Organic oxygen compounds Imines Hydrocarbon derivatives Hydrobromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Boronic acid derivative - Boronic acid - Isothiourea - Organic metalloid salt - Sulfenyl compound - Carboximidamide - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organic metalloid moeity - Hydrobromide - Imine - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water to 20mM and in DMSO to 100mM
• Sensibilidad: Moisture sensitive
• Peso molecular: 290.980 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 289.99 Da
• Monoisotopic Mass: 289.99 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 196.000
• 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: 2

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