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TL4-12

CAT: 0931-T26280-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T26280-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1620820-12-3
Target
IKZF, MAPK, Immunology/Inflammation related, Apoptosis, Bcl-2 Family, Bcl-6
Related Pathways
MAPK, Immunology/Inflammation, Apoptosis
Purity
0.9838
Bioactivity
TL4-12 is a specific MAP4K2/GCK inhibitor that inhibits IKZF1 and BCL-6.TL4-12 inhibits MM cell proliferation and induces apoptosis, and can be used in the study of multiple myeloma (MM) .
Smiles
O=C(NC=1C=C(C=C(C1)C(F)(F)F)N2CCN(C)CC2)C3=CC=C(C(OC4=NC=NC(=C4)NC)=C3)C
Molecular Formula
C25H27F3N6O2
Molecular Weight
500.52
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-Methyl-3-[[6-(methylamino)-4-pyrimidinyl]oxy]-N-[3-(4-methyl-1-piperazinyl)-5-(trifluoromethyl)phenyl]benzamide
CAS Number1620820-12-3
PubChem CID134812827
IUPAC Name4-methyl-3-[6-(methylamino)pyrimidin-4-yl]oxy-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide
Molecular FormulaC25H27F3N6O2
Molecular Weight500.5
XLogP4.4
Topological Polar Surface Area82.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity720
SMILES
CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3CCN(CC3)C)OC4=NC=NC(=C4)NC
InChI
InChI=1S/C25H27F3N6O2/c1-16-4-5-17(10-21(16)36-23-14-22(29-2)30-15-31-23)24(35)32-19-11-18(25(26,27)28)12-20(13-19)34-8-6-33(3)7-9-34/h4-5,10-15H,6-9H2,1-3H3,(H,32,35)(H,29,30,31)
InChIKey
HXKJJIMUMNPQQY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methyl-3-[[6-(methylamino)-4-pyrimidinyl]oxy]-N-[3-(4-methyl-1-piperazinyl)-5-(trifluoromethyl)phenyl]benzamide
CAS: 1620820-12-3
CID: 134812827
Formula: C25H27F3N6O2
MW: 500.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight500.5
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass500.21475861
Monoisotopic Mass500.21475861
Topological Polar Surface Area82.6 Ų
Heavy Atom Count36
Formal Charge0
Complexity720
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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