Products for Research Use Only

TG101209 analog 1

CAT: 0013-GTR19250515-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19250515-01Size:25 mg
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Description
Compound 8h (TG101209 analog 1) is a BUB1B inhibitor with an IC50 of 10.36 μM. It demonstrates cytotoxic activity in Caki-1 cells (IC50 = 1.347 μM) by inducing both apoptosis and necrosis, making it a useful tool for cancer biology and cell death mechanism studies.
CAS Number
3105969-02-3
Field of Research
Cell Biology
Smiles
CC1=CN=C (N=C1NC2=CC (=CC=C2) S (=O) (=O) NC (C) (C) C) NC3=CC (=C (C (=C3) OC) OC) OC
Molecular Formula
C24H31N5O5S
Molecular Weight
501.598
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

TG101209 analog 1
CAS Number3105969-02-3
PubChem CID172291538
IUPAC NameN-tert-butyl-3-[[5-methyl-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]benzenesulfonamide
Molecular FormulaC24H31N5O5S
Molecular Weight501.6
XLogP4.2
Topological Polar Surface Area132
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Heavy Atom Count35
Formal Charge0
Complexity744
SMILES
CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C24H31N5O5S/c1-15-14-25-23(27-17-12-19(32-5)21(34-7)20(13-17)33-6)28-22(15)26-16-9-8-10-18(11-16)35(30,31)29-24(2,3)4/h8-14,29H,1-7H3,(H2,25,26,27,28)
InChIKey
KEGVORHWJANDMS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of TG101209 analog 1
CAS: 3105969-02-3
CID: 172291538
Formula: C24H31N5O5S
MW: 501.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight501.6
XLogP34.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Exact Mass501.20459028
Monoisotopic Mass501.20459028
Topological Polar Surface Area132 Ų
Heavy Atom Count35
Formal Charge0
Complexity744
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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