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PKM2 activator 10

CAT: 0804-HY-155216-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-155216-01Size:1 mg
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Description
PKM2 activator 10 (Compd I) is a PKM2 activator with anti-tumor activity. PKM2 activator 10 can be utilized in cancer research[1].
CAS Number
2490276-04-3
UNSPSC
12352005
Target
Pyruvate Kinase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/pkm2-activator-10.html
Smiles
O=C(N(CCC1CCS(=O)(CC1)=O)CC2=C(N)C=CC=C2F)C3=CC(C(F)(F)F)=NN3
Molecular Formula
C19H22F4N4O3S
Molecular Weight
462.46
References & Citations
[1]Steven L. Warner, et al. Compositions comprising pkm2 modulators and methods of treatment using the same. US20200297698A1, 2023-08-01
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

PKM2 activator 10
CAS Number2490276-04-3
PubChem CID90120714
IUPAC NameN-[(2-amino-6-fluorophenyl)methyl]-N-[2-(1,1-dioxothian-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
Molecular FormulaC19H22F4N4O3S
Molecular Weight462.5
XLogP2.3
Topological Polar Surface Area118
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity717
SMILES
C1CS(=O)(=O)CCC1CCN(CC2=C(C=CC=C2F)N)C(=O)C3=NNC(=C3)C(F)(F)F
InChI
InChI=1S/C19H22F4N4O3S/c20-14-2-1-3-15(24)13(14)11-27(7-4-12-5-8-31(29,30)9-6-12)18(28)16-10-17(26-25-16)19(21,22)23/h1-3,10,12H,4-9,11,24H2,(H,25,26)
InChIKey
GASMZUDGPKMAEI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PKM2 activator 10
CAS: 2490276-04-3
CID: 90120714
Formula: C19H22F4N4O3S
MW: 462.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight462.5
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass462.13487440
Monoisotopic Mass462.13487440
Topological Polar Surface Area118 Ų
Heavy Atom Count31
Formal Charge0
Complexity717
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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