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TP-1454

CAT: 1568-C01620-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C01620-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2490276-04-3
SKU
C01620-5mg
Target
PKM
Applications
Metabolism
Additionnal Information
TP-1454 is an activator of PKM2 with AC50 of 10 Nm in biochemical assays.TP-1454 modulates tumor-immune responses by destabilizing T-regulatory cells.
Storage Conditions
3 years -20°C powder

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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