3041957-90-5
Chemical Structure
PKM2/PDK1-IN-1
- CAS No.: 3041957-90-5
- Formula:C36H43NO7S3
- Molecular Weight:697.92
IUPAC Name: methyl S-((R)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl)-N-(5-((4R)-2-(o-tolyl)-1,3-dithian-4-yl)pentanoyl)-L-cysteinate
InChIKey: OFYKBRAEBALYQP-KVTKESBWSA-N
SMILES: COC([C@@H](NC(CCCC[C@@H]1CCSC(S1)C2=C(C=CC=C2)C)=O)CS[C@@H](C3=CC(C4=C(C=CC(O)=C4C3=O)O)=O)C/C=C(C)\C)=O
Biological Activity: PKM2/PDK1-IN-1, one of shikonin thioether derivatives, is a dual inhibitor of PKM2/PDK1. PKM2/PDK1-IN-1 inhibits the proliferation of NSCLC cells, and induces apoptosis. PKM2/PDK1-IN-1 induces intercellular ROS production, and regulates the apoptotic proteins, to involves in mitochondrial and death receptor pathway[1].
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PKM2/PDK1-IN-1 | PKM2/PDK1-IN-1, one of shikonin thioether derivatives, is a dual inhibitor of PKM2/PDK1. PKM2/PDK1-IN-1 inhibits the proliferation of NSCLC cells, and induces apoptosis. PKM2/PDK1-IN-1 induces intercellular ROS production, and regulates the apoptotic proteins, to involves in mitochondrial and death receptor pathway. | |||||||||||||||||||||
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