MBQ-167 - ≥98% , CAS No.2097938-73-1

CAS: 2097938-73-1 Cat. No.: M414152 Formule: C₂₂H₁₈N₄ Poids moléculaire: 338.41

GRADE & PURITY ≥98%

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 -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Product Describtion:

MBQ-167 is a dual Rac/Cdc42 inhibitor, with IC50s of 103 nM for Rac 1/2/3 and 78 nM for Cdc42 in MDA-MB-231 cells, respectively.

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

Synonymes

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

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

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.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Pureté

≥98%

Propriétés du produit

• ALogP: 5.446
• hba_count: 2
• Liaison rotative: 3

Noms et identifiants

• Pubchem Sid: 488202740
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202740
• Sourires canoniques: 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
• Isomères SMILES: CCN1C2=C(C=C(C=C2)N3C(=CN=N3)C4=CC=CC=C4)C5=CC=CC=C51
• Poids moléculaire: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Solubility (25°C) In vitro DMSO: 68 mg/mL (200.93 mM); Ethanol: 14 mg/mL (41.36 mM); Water: Insoluble
• DMSO (mg/mL) Solubilité maximale: 68
• DMSO (mM) Solubilité maximale: 200.939688543483
• Eau (mg/mL) Solubilité maximale: ＜1
• Poids moléculaire: 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2097938-73-1, the molecular formula is C22H18N4, and the molecular weight is 338.41 g/mol. InChIKey LJCANTASZGYJLG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.