MBQ-167 - 10mM in DMSO , CAS No.2097938-73-1

CAS: 2097938-73-1 Cat. No.: M422545 Fórmula: C₂₂H₁₈N₄ Peso molecular: 338.41

GRADE & PURITY 10mM in DMSO

Synonyms

XID93873 | 9H-Carbazole, 9-ethyl-3-(5-phenyl-1H-1,2,3-triazol-1-yl)- | 9-Ethyl-3-(5-phenyl-1H-1,2,3-triazol-1-yl)-9H-carbazole | A16808 | 2097938-73-1 | UNII-RRY5XN588Q | s8749 | RRY5XN588Q | D71171 | MBQ-167 | 1-(9-ethyl-9h-carbazol-3-yl)-5-phenyl-1h-1,2

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

Information

MBQ-167 MBQ-167 is a potent and dual inhibitor of Rac and Cdc42 with IC50s of 103 nM and 78 nM respectively, in metastatic breast cancer cells.

Targets

cdc42 (in metastatic breast cancer cells); Rac (in metastatic breast cancer cells) 78 nM; 103 nM

In vitro

MBQ-167 inhibits mammary tumor growth and metastasis in immunocompromised mice by ~90%.

Cell Research(from reference)

Cell lines：MDA-MB-231 cells 

Concentrations：250 or 500 nM 

Incubation Time：24 h 

Specifications

Sinónimos

XID93873 | 9H-Carbazole, 9-ethyl-3-(5-phenyl-1H-1,2,3-triazol-1-yl)- | 9-Ethyl-3-(5-phenyl-1H-1,2,3-triazol-1-yl)-9H-carbazole | A16808 | 2097938-73-1 | UNII-RRY5XN588Q | s8749 | RRY5XN588Q | D71171 | MBQ-167 | 1-(9-ethyl-9h-carbazol-3-yl)-5-phenyl-1h-1,2

Especificações e pureza

10mM in DMSO

Mecanismos bioquímicos e fisiológicos

MBQ-167 is a potent and dual inhibitor of Rac and Cdc42 with IC50s of 103 nM and 78 nM respectively, in metastatic breast cancer cells.

Condições de armazenamento de armazenamento

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

INHIBITOR

Propriedades do produto

ALogP

5.446

hba_count

2

Ligação rotativa

3

Nomes e identificadores

Pubchem Sid

528765421

Sorrisos canónicos

CCN1C2=C(C=C(C=C2)N3C(=CN=N3)C4=CC=CC=C4)C5=CC=CC=C51

IUPAC Name

9-ethyl-3-(5-phenyltriazol-1-yl)carbazole

InChIKey

LJCANTASZGYJLG-UHFFFAOYSA-N

INCHI

1S/C22H18N4/c1-2-25-20-11-7-6-10-18(20)19-14-17(12-13-21(19)25)26-22(15-23-24-26)16-8-4-3-5-9-16/h3-15H,2H2,1H3

SMILES isoméricas

CCN1C2=C(C=C(C=C2)N3C(=CN=N3)C4=CC=CC=C4)C5=CC=CC=C51

Peso molecular

338.41

Reaxy-Rn

31253890

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31253890&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: N-alkylindoles Substituted pyrroles Benzene and substituted derivatives Triazoles Heteroaromatic compounds Trialkylamines Propargyl-type 1,3-dipolar organic compounds Enamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - N-alkylindole - Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - Heteroaromatic compound - 1,2,3-triazole - Azole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Enamine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.
• 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

• DMSO (mg/mL) Solubilidade máxima: 68
• DMSO (mM) Solubilidade máxima: 200.939688543483
• Água (mg/mL) Solubilidade máxima: ＜1
• Peso molecular: 338.400 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 338.153 Da
• Monoisotopic Mass: 338.153 Da
• Topological Polar Surface Area: 35.600 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 477.000
• 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