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

COA

Grade & Purity:

10mM in DMSO

Cas Number: 2097938-73-1
Molecular Weight: 338.41
PubChem CID: 129896932

In stock

Item Number

M422545

Grouped product items
SKU	Size	Availability	Price	Qty
M422545-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$241.90

Rho Inhibitors

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Cell Cycle (2830) Compound libraries (12325) G Protein Related (287)

Basic Description

Synonyms	MBQ-167 \| 2097938-73-1 \| 9-Ethyl-3-(5-phenyl-1H-1,2,3-triazol-1-yl)-9H-carbazole \| RRY5XN588Q \| 9-ethyl-3-(5-phenyltriazol-1-yl)carbazole \| 9H-Carbazole, 9-ethyl-3-(5-phenyl-1H-1,2,3-triazol-1-yl)- \| UNII-RRY5XN588Q \| SCHEMBL19514489 \| XID93873 \| s8749 \| AKOS032946372 \| BS-159
Specifications & Purity	10mM in DMSO
Biochemical and Physiological Mechanisms	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.
Storage Temp	Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	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

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives
    - Subclass Carbazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	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
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

Product Properties

ALogP	5.446
hba_count	2
Rotatable Bond	3

Names and Identifiers

IUPAC Name	9-ethyl-3-(5-phenyltriazol-1-yl)carbazole
INCHI	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
InChIKey	LJCANTASZGYJLG-UHFFFAOYSA-N
Smiles	CCN1C2=C(C=C(C=C2)N3C(=CN=N3)C4=CC=CC=C4)C5=CC=CC=C51
Isomeric SMILES	CCN1C2=C(C=C(C=C2)N3C(=CN=N3)C4=CC=CC=C4)C5=CC=CC=C51
Molecular Weight	338.41
Reaxy-Rn	31253890
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31253890&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

DMSO(mg / mL) Max Solubility	68
DMSO(mM) Max Solubility	200.939688543483
Water(mg / mL) Max Solubility	＜1
Molecular Weight	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 Å²
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

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