(E/Z)-BCI - 10mM in DMSO , CAS No.15982-84-0

CAS: 15982-84-0 Cat. No.: E421914 Fórmula: C₂₂H₂₃NO Peso molecular: 317.42 Número CE: 683-421-8

GRADE & PURITY 10mM in DMSO

Synonyms

(E)-BCI | NSC 150117 | AKOS037648917 | (E/Z)-BCI(DUSP6 inhibitor) | (2Z)-3-(CYCLOHEXYLAMINO)-2-(PHENYLMETHYLIDENE)-2,3-DIHYDRO-1H-INDEN-1-ONE | BRD-A11007541-003-01-9 | SCHEMBL3698122 | (E/Z)-BCI | BS-16023 | HY-126390 | EX-A3815 | SCHEMBL3705322 | 2-benz

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

Information

(E/Z)-BCI (E/Z)-BCI (BCI, NSC 150117) is an inhibitor of dual specific phosphatase 1/6 (DUSP1/DUSP6) and mitogen-activated protein kinase with EC50 of 13.3 μM and 8.0 μM for DUSP6 and DUSP1 in cells, respectively. (E)-BCI induces apoptosis via generation of reactive oxygen species (ROS) and activation of intrinsic mitochondrial pathway in H1299 lung cancer cells.

Targets

ROS ; DUSP1 (Cell-free assay); DUSP6 (Cell-free assay) ; 8.0 μM(EC50); 13.3 μM(EC50)

Specifications

Sinónimos

(E)-BCI | NSC 150117 | AKOS037648917 | (E/Z)-BCI(DUSP6 inhibitor) | (2Z)-3-(CYCLOHEXYLAMINO)-2-(PHENYLMETHYLIDENE)-2,3-DIHYDRO-1H-INDEN-1-ONE | BRD-A11007541-003-01-9 | SCHEMBL3698122 | (E/Z)-BCI | BS-16023 | HY-126390 | EX-A3815 | SCHEMBL3705322 | 2-benz

Especificações e pureza

10mM in DMSO

Mecanismos bioquímicos e fisiológicos

(E/Z)-BCI (BCI, NSC 150117) is an inhibitor of dual specific phosphatase 1/6 (DUSP1/DUSP6) and mitogen-activated protein kinase with EC50 of 13.3 μM and 8.0 μM for DUSP6 and DUSP1 in cells, respectively. (E)-BCI induces apoptosis via generation of reactiv

Condições de armazenamento de armazenamento

Protected from light,Store at -80°C

Enviado em

Dry ice packs + Cold packs

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

Tipo de ação

ACTIVATOR

Propriedades do produto

• ALogP: 4.84
• hba_count: 1
• Contagem HBD: 1
• Ligação rotativa: 3

Nomes e identificadores

• Pubchem Sid: 528753150
• Sorrisos canónicos: C1CCC(CC1)NC2C3=CC=CC=C3C(=O)C2=CC4=CC=CC=C4
• IUPAC Name: (2Z)-2-benzylidene-3-(cyclohexylamino)-3H-inden-1-one
• InChIKey: XJDKPLZUXCIMIS-HKWRFOASSA-N
• INCHI: 1S/C22H23NO/c24-22-19-14-8-7-13-18(19)21(23-17-11-5-2-6-12-17)20(22)15-16-9-3-1-4-10-16/h1,3-4,7-10,13-15,17,21,23H,2,5-6,11-12H2/b20-15-
• SMILES isoméricas: C1CCC(CC1)NC\2C3=CC=CC=C3C(=O)/C2=C\C4=CC=CC=C4
• Peso molecular: 317.42
• Reaxy-Rn: 2766536
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2766536&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Indanes
      • Subclass Indanones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Indanes
• Subclass: Indanones
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanones
• Alternative Parents: Aryl ketones Cyclohexylamines Aralkylamines Benzene and substituted derivatives Dialkylamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indanone - Aryl ketone - Cyclohexylamine - Aralkylamine - Monocyclic benzene moiety - Ketone - Secondary aliphatic amine - Secondary amine - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as indanones. These are compounds containing an indane ring bearing a ketone group.
• 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

Propriedades químicas e físicas

• Sensibilidade: Light sensitive
• DMSO (mg/mL) Solubilidade máxima: 63
• DMSO (mM) Solubilidade máxima: 198.475206351207
• Água (mg/mL) Solubilidade máxima: ＜1
• Peso molecular: 317.400 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 317.178 Da
• Monoisotopic Mass: 317.178 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 470.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1