GRADE & PURITY 10mM in DMSO

Synonyms

AS-79949 | HY-110188 | 1-(3,4-dihydroxyphenyl)-2-thiocyanato-ethanone | STL417030 | EN300-209059 | F76060 | 1-(3,4-dihydroxyphenyl)-2-thiocyanate-ethanone | 2-(3,4-Dihydroxyphenyl)-2-oxoethyl ester thiocyanic acid | BIX | BEA71441 | Thiocyanic acid, 2-(3,

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

application：

BIX has been used in cell viability assay.

Specifications

Sinónimos

AS-79949 | HY-110188 | 1-(3, 4-dihydroxyphenyl)-2-thiocyanato-ethanone | STL417030 | EN300-209059 | F76060 | 1-(3, 4-dihydroxyphenyl)-2-thiocyanate-ethanone | 2-(3, 4-Dihydroxyphenyl)-2-oxoethyl ester thiocyanic acid | BIX | BEA71441 | Thiocyanic acid, 2-(3,

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

BiP (Hsp70-5) ER molecular chaperone inducer; induces BiP expression in vivo and in vitro. Prevent cell death of neurons and retinal cell lines caused by endoplasmic reticulum stress. BIX (BiP protein inducer X) induces the expression of the endoplasmic r

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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

Tipo de acción

INHIBITOR

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=C(C=C1C(=O)CSC#N)O)O
• IUPAC Name: [2-(3,4-dihydroxyphenyl)-2-oxoethyl] thiocyanate
• InChIKey: SVFLBLCWKKQKDW-UHFFFAOYSA-N
• INCHI: 1S/C9H7NO3S/c10-5-14-4-9(13)6-1-2-7(11)8(12)3-6/h1-3,11-12H,4H2
• Isómeros SMILES: C1=CC(=C(C=C1C(=O)CSC#N)O)O
• WGK Alemania: 3
• Peso molecular: 209.22
• Reaxy-Rn: 3292146
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3292146&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Catechols Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Thiocyanates Sulfenyl compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Benzoyl - Catechol - Aryl alkyl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Sulfenyl compound - Thiocyanate - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• External Descriptors: catechols - aromatic ketone - thiocyanates

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

• Peso molecular: 209.220 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 209.015 Da
• Monoisotopic Mass: 209.015 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 260.000
• 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

Referencias

1. Mengyang Zhou, Yifei Wang, Yaning Xia, Yinhua Li, Jianfeng Bao, Yong Zhang, Jingliang Cheng, Yupeng Shi.  (2024)  MRI-guided cell membrane-camouflaged bimetallic coordination nanoplatform for combined tumor phototherapy.  Materials Today Bio,      [PMID:38516170] [10.1016/j.mtbio.2024.101019]