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| SKU | Size | Availability |
Price | Qty |
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I420425-1ml
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1ml |
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
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$296.90
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GSK-3 Inhibitors
| 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 |
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 |
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| ALogP | 3.339 |
|---|---|
| hba_count | 5 |
| HBD Count | 1 |
| Rotatable Bond | 2 |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| 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= |
| 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 |