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9-ing-41 - 10mM in DMSO, high purity , CAS No.1034895-42-5, Glycogen synthase kinase-3 beta inhibitor

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Item Number
I420425
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I420425-1ml
1ml
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$296.90

GSK-3 Inhibitors

Basic Description

Synonyms 9-ING-41 | 1034895-42-5 | elraglusib | 3-(5-fluorobenzofuran-3-yl)-4-(5-methyl-5H-[1,3]dioxolo[4,5-f]indol-7-yl)-1H-pyrrole-2,5-dione | Elraglusib [USAN] | ND1SOF0DLU | CHEMBL483465 | 3-(5-fluoro-1-benzofuran-3-yl)-4-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)pyrrole-2,5-
Specifications & Purity Moligand™, 10mM in DMSO
Biochemical and Physiological Mechanisms 9-ING-41 is a potent inhibitor of glycogen synthase kinase-3 (GSK-3) with antitumor activity. 9-ING-41 induces apoptosis and cell cycle arrest at prophase by targeting centrosomes and microtubule-bound GSK3β.
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.
Grade Moligand™
Action Type INHIBITOR
Mechanism of action Glycogen synthase kinase-3 beta inhibitor
Product Description

Information

9-ing-41 9-ING-41 is a potent inhibitor of glycogen synthase kinase-3 (GSK-3) with antitumor activity. 9-ING-41 induces apoptosis and cell cycle arrest at prophase by targeting centrosomes and microtubule-bound GSK3β.

Targets

GSK-3

In vitro

9-ING-41, a clinically relevant small molecule GSK-3β inhibitor with broad spectrum pre-clinical antitumor activity, suppresses the growth of neuroblastoma cells. 9-ING-41 induces apoptosis and cell cycle arrest at prophase by targeting centrosomes and microtubule-bound GSK3β.

In vivo

9-ING-41 has single-agent antitumor activity in a mouse model of MCL. Mouse xenograft studies shows that the combination of clinically relevant doses of CPT-11 and 9-ING-41 lead to greater antitumor effect than is observed with either agent alone.

Cell Research(from reference)

Cell lines:Neuroblastoma cell lines SK-N-DZ, SK-N-BE 

Concentrations:0.1 μM–1 μM 

Incubation Time:48 h 

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Indoles and derivatives
Subclass N-alkylindoles
Intermediate Tree Nodes Not available
Direct Parent N-alkylindoles
Alternative Parents Indoles  Benzodioxoles  Benzofurans  Maleimides  Aryl fluorides  Benzenoids  N-methylpyrroles  Pyrrolines  N-unsubstituted carboxylic acid imides  Heteroaromatic compounds  Furans  Dicarboximides  Oxacyclic compounds  Acetals  Azacyclic compounds  Carbonyl compounds  Hydrocarbon derivatives  Organic oxides  Organofluorides  Organonitrogen compounds  Organopnictogen compounds  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents N-alkylindole - Benzodioxole - Benzofuran - Indole - Maleimide - Aryl fluoride - Aryl halide - N-methylpyrrole - Substituted pyrrole - Benzenoid - Furan - Dicarboximide - Pyrroline - Pyrrole - Heteroaromatic compound - Carboxylic acid imide - Carboxylic acid imide, n-unsubstituted - Acetal - Carboxylic acid derivative - Oxacycle - Azacycle - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as n-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 1-position.
External Descriptors Not available

Product Properties

ALogP 3.339
hba_count 5
HBD Count 1
Rotatable Bond 2

Associated Targets(Human)

GSK3B Tclin Glycogen synthase kinase-3 beta (0 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BXPC-3 (2997 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MIA PaCa-2 (5949 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name 3-(5-fluoro-1-benzofuran-3-yl)-4-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)pyrrole-2,5-dione
INCHI InChI=1S/C22H13FN2O5/c1-25-7-13(11-5-17-18(6-15(11)25)30-9-29-17)19-20(22(27)24-21(19)26)14-8-28-16-3-2-10(23)4-12(14)16/h2-8H,9H2,1H3,(H,24,26,27)
InChIKey FARXPFGGGGLENU-UHFFFAOYSA-N
Smiles CN1C=C(C2=CC3=C(C=C21)OCO3)C4=C(C(=O)NC4=O)C5=COC6=C5C=C(C=C6)F
Isomeric SMILES CN1C=C(C2=CC3=C(C=C21)OCO3)C4=C(C(=O)NC4=O)C5=COC6=C5C=C(C=C6)F
Molecular Weight 404.35
Reaxy-Rn 18405610
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18405610&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 81
DMSO(mM) Max Solubility 200.32150364783
Water(mg / mL) Max Solubility <1
Molecular Weight 404.300 g/mol
XLogP3 3.000
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 2
Exact Mass 404.081 Da
Monoisotopic Mass 404.081 Da
Topological Polar Surface Area 82.700 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 802.000
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

Solution Calculators

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