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PKM2-IN-5

CAT: 0804-HY-162071-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-162071-01Size:1 mg
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Description
PKM2-IN-5 (Compound G1) is an inhibitor for pyruvate kinase M2 (PKM2), with IC50 >70 μM[1].
CAS Number
904457-46-1
UNSPSC
12352005
Target
Pyruvate Kinase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/pkm2-in-5.html
Solubility
10 mM in DMSO
Smiles
O=C1OC2=C(C3=C1C=C(C(NC(C)C)=O)S3)C=C(C)C=C2
Molecular Formula
C16H15NO3S
Molecular Weight
301.36
References & Citations
[1]Cantley L, et al., Inhibitors of pyruvate kinase and methods of treating disease. WO2008019139
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

PKM2 inhibitor G
CAS Number904457-46-1
PubChem CID6622580
IUPAC Name8-methyl-4-oxo-N-propan-2-ylthieno[3,2-c]chromene-2-carboxamide
Molecular FormulaC16H15NO3S
Molecular Weight301.4
XLogP3.5
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity439
SMILES
CC1=CC2=C(C=C1)OC(=O)C3=C2SC(=C3)C(=O)NC(C)C
InChI
InChI=1S/C16H15NO3S/c1-8(2)17-15(18)13-7-11-14(21-13)10-6-9(3)4-5-12(10)20-16(11)19/h4-8H,1-3H3,(H,17,18)
InChIKey
GBGCQNCXQMNMQA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PKM2 inhibitor G
CAS: 904457-46-1
CID: 6622580
Formula: C16H15NO3S
MW: 301.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight301.4
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass301.07726451
Monoisotopic Mass301.07726451
Topological Polar Surface Area83.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity439
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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