≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Desiccated Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
hSMG-1 inhibitor 11e is a potent and selective hSMG-1 kinase inhibitor with an IC 50 of <0.05 nM. hSMG-1 inhibitor 11e shows >900-fold selectivity over mTOR (IC 50 of 45 nM), PI3Kα/γ (IC 50 s of 61 nM and 92 nM) and CDK1/CDK2 (IC 50 s of 32 μM and 7.1 μM)
In Vitro
hSMG-1 kinase plays a dual role in a highly conserved RNA surveillance pathway termed nonsense-mediated RNA decay (NMD) and in cellular genotoxic stress response. Since deregulation of cellular responses to stress contributes to tumor growth and resistance to chemotherapy, hSMG-1 is a potential target for cancer treatment. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:hSMG-1 <0.05 nM (IC 50 ) mTOR 45 nM (IC 50 ) PI3Kα 61 nM (IC 50 ) PI3Kγ 92 nM (IC 50 ) CDK1 32 μM (IC 50 ) CDK2 7.1 μM (IC 50 )
| Canonical Smiles | CC1=C(C=C(C=C1)NC2=NC=CC(=N2)C3=CC(=NC=C3)C4=CC=C(C=C4)NC(=O)NC)S(=O)(=O)N(C)C |
|---|---|
| IUPAC Name | 1-[4-[4-[2-[3-(dimethylsulfamoyl)-4-methylanilino]pyrimidin-4-yl]pyridin-2-yl]phenyl]-3-methylurea |
| InChIKey | FOFHDVOENOAIGR-UHFFFAOYSA-N |
| INCHI | 1S/C26H27N7O3S/c1-17-5-8-21(16-24(17)37(35,36)33(3)4)30-25-29-14-12-22(32-25)19-11-13-28-23(15-19)18-6-9-20(10-7-18)31-26(34)27-2/h5-16H,1-4H3,(H2,27,31,34)(H,29,30,32) |
| Isomeric SMILES | CC1=C(C=C(C=C1)NC2=NC=CC(=N2)C3=CC(=NC=C3)C4=CC=C(C=C4)NC(=O)NC)S(=O)(=O)N(C)C |
| PubChem CID | 71458574 |
| Molecular Weight | 517.60 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Phenylpyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyridines |
| Alternative Parents | N-phenylureas Benzenesulfonamides Benzenesulfonyl compounds Aniline and substituted anilines Toluenes Aminopyrimidines and derivatives Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Ureas Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-phenylpyridine - Benzenesulfonamide - N-phenylurea - Benzenesulfonyl group - Aniline or substituted anilines - Aminopyrimidine - Toluene - Pyrimidine - Organosulfonic acid amide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Heteroaromatic compound - Urea - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond. |
| External Descriptors | Not available |
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| Solubility | DMSO : 50 mg/mL (96.60 mM; Need ultrasonic) |
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