BIX - ≥98%(HPLC) , CAS No.101714-41-4

CAS: 101714-41-4 Cat. No.: B288217 分子式: C₉H₇NO₃S 分子量: 209.22 EC番号: 808-327-8

グレード＆純度 ≥98%(HPLC)

Synonyms

1-(3,4-dihydroxyphenyl)-2-thiocyanato-ethanone|1-(3,4-dihydroxyphenyl)-2-thiocyanate-ethanone|2-(3,4-Dihydroxyphenyl)-2-oxoethyl ester thiocyanic acid|BIX|Thiocyanic acid, 2-(3,4-dihydroxyphenyl)-2-oxoethyl ester|[2-(3,4-dihydroxyphenyl)-2-oxoethyl] thiocyanate|2-(3,4-dihydroxyphenyl)-2-oxoethyl thiocyanate|immunoglobulin heavy-chain binding protein inducer X|BiP inducer X|2-(Cyanosulfanyl)-1-(3,4-dihydroxyphenyl)ethan-1-one

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

application：

BIX has been used in cell viability assay.

仕様

同義語

1-(3,4-dihydroxyphenyl)-2-thiocyanato-ethanone | 1-(3,4-dihydroxyphenyl)-2-thiocyanate-ethanone | 2-(3,4-Dihydroxyphenyl)-2-oxoethyl ester thiocyanic acid | BIX | Thiocyanic acid, 2-(3,4-dihydroxyphenyl)-2-oxoethyl ester | [2-(3,4-dihydroxyphenyl)-2-oxoethyl] thiocyanate | 2-(3,4-dihydroxyphenyl)-2-oxoethyl thiocyanate | immunoglobulin he もっと見る

仕様と純度

≥98%(HPLC)

生化学的・生理学的メカニズム

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

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%(HPLC)

名前と識別子

パブケム・シド

504768472

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504768472

カノニカル・スマイル

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

異性体SMILES

C1=CC(=C(C=C1C(=O)CSC#N)O)O

WGKドイツ

3

分子量

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
    • 分類 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Solvent:DMSO, Max Conc. mg/mL: 20.92, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 20.92, Max Conc. mM: 100
• 分子量: 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