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PKM2 modulator 2

CAT: 0931-T205205-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T205205-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1356760-50-3
Target
Apoptosis, PKM
Related Pathways
Metabolism, Apoptosis
Bioactivity
PKM2 modulator 2 (compound C599) is a potent inhibitor of PKM2, displaying antiproliferative activity and inducing apoptosis. This compound holds potential for research in glioblastoma.
Smiles
FC1=CC=C(OCC2=NN=C(O2)C=3C=NC=4ON=C(C=5C=CC=CC5)C4C3)C=C1
Molecular Formula
C21H13FN4O3
Molecular Weight
388.351
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

PKM2 modulator 2
CAS Number1356760-50-3
PubChem CID56803912
IUPAC Name5-[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine
Molecular FormulaC21H13FN4O3
Molecular Weight388.4
XLogP3.7
Topological Polar Surface Area87.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity530
SMILES
C1=CC=C(C=C1)C2=NOC3=C2C=C(C=N3)C4=NN=C(O4)COC5=CC=C(C=C5)F
InChI
InChI=1S/C21H13FN4O3/c22-15-6-8-16(9-7-15)27-12-18-24-25-20(28-18)14-10-17-19(13-4-2-1-3-5-13)26-29-21(17)23-11-14/h1-11H,12H2
InChIKey
HQFFFVPSUMACPL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PKM2 modulator 2
CAS: 1356760-50-3
CID: 56803912
Formula: C21H13FN4O3
MW: 388.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.4
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass388.09716845
Monoisotopic Mass388.09716845
Topological Polar Surface Area87.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity530
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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Alternative Products

CatalogName
HY-168882PKM2 modulator 1
HY-168883PKM2 modulator 2
ant-009PKM2
50295PKM2 (PKM2/Variant 1), His-tag
10R-11296PKM2 antibody
HY-139667-01PKM2-IN-3
HY-162071-01PKM2-IN-5
512844PKM2 discontinued
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MBS3609268-01PKM2 inhibitor

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