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TG-89

CAT: 0931-T20742-07Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-T20742-07Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
936091-56-4
Target
JAK, c-RET, FLT
Related Pathways
Angiogenesis, Chromatin/Epigenetic, Apoptosis, Stem Cells, JAK/STAT signaling, Tyrosine Kinase/Adaptors
Purity
0.988
Bioactivity
TG-89 is an inhibitor of JAK2, JAK3, RET and FLT3, and has an IC50 value of 11.2 μM against JAK2, showing anticancer activity in the treatment of ovarian and cervical cancer.
Smiles
Cc1cnc(Nc2cccc(CN3CCOCC3)c2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
Molecular Formula
C26H34N6O3S
Molecular Weight
510.65
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(1,1-Dimethylethyl)-3-[[5-methyl-2-[[3-(4-morpholinylmethyl)phenyl]amino]-4-pyrimidinyl]amino]benzenesulfonamide
CAS Number936091-56-4
PubChem CID16723044
IUPAC NameN-tert-butyl-3-[[5-methyl-2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide
Molecular FormulaC26H34N6O3S
Molecular Weight510.7
XLogP3.7
Topological Polar Surface Area117
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count36
Formal Charge0
Complexity780
SMILES
CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=CC(=C3)CN4CCOCC4
InChI
InChI=1S/C26H34N6O3S/c1-19-17-27-25(29-21-8-5-7-20(15-21)18-32-11-13-35-14-12-32)30-24(19)28-22-9-6-10-23(16-22)36(33,34)31-26(2,3)4/h5-10,15-17,31H,11-14,18H2,1-4H3,(H2,27,28,29,30)
InChIKey
OOSKXASFJFSOBK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(1,1-Dimethylethyl)-3-[[5-methyl-2-[[3-(4-morpholinylmethyl)phenyl]amino]-4-pyrimidinyl]amino]benzenesulfonamide
CAS: 936091-56-4
CID: 16723044
Formula: C26H34N6O3S
MW: 510.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight510.7
XLogP33.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass510.24131014
Monoisotopic Mass510.24131014
Topological Polar Surface Area117 Ų
Heavy Atom Count36
Formal Charge0
Complexity780
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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