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

CAS: 15982-84-0 Cat. No.: E421914 分子式: C₂₂H₂₃NO 分子量: 317.42 EC番号: 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

概要

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

同義語

(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

仕様と純度

10mM in DMSO

生化学的・生理学的メカニズム

(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

保管条件

Protected from light,Store at -80°C

入荷

Dry ice packs + Cold packs

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。

アクションタイプ

ACTIVATOR

製品の性質

• ALogP: 4.84
• hba_count: 1
• HBD数: 1
• 回転可能な結合: 3

名前と識別子

• パブケム・シド: 528753150
• カノニカル・スマイル: 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-
• 異性体SMILES: C1CCC(CC1)NC\2C3=CC=CC=C3C(=O)/C2=C\C4=CC=CC=C4
• 分子量: 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
    • 分類 Indanes
      • Subclass Indanones

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

化学的性質と物理的性質

• 感度: Light sensitive
• DMSO（mg / mL） 最大溶解度: 63
• DMSO（mM） 最大溶解度: 198.475206351207
• 水（mg / mL） 最大溶解度: ＜1
• 分子量: 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