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TMX-2172

CAT: 0931-T202515-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T202515-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2488892-09-5
Target
CDK, PROTACs
Related Pathways
PROTAC, Cell Cycle/Checkpoint
Bioactivity
TMX-2172 is a heterobifunctional CDK2 degrader, selectively degrading CDK2 and CDK5, with minimal effects on CDK1, transcriptional CDKs (CDK7 and CDK9), and cell cycle CDKs (CDK4 and CDK6) . In ovarian cancer cells (OVCAR8), its anti-proliferative activity is dependent on CDK2 degradation and is linked to high expression of cyclin E1 (CCNE1), which acts as a regulatory subunit of CDK2. As a lead compound for further development, TMX-2172 demonstrates that CDK2 degradation could be a potentially effective strategy for treating ovarian and other cancers with elevated CCNE1 expression.
Smiles
O=C(N)C=1C(F)=CC=CC1NC2=NC(=NC=C2Br)NC3=CC=C(C=C3C)S(=O)(=O)NCCOCCOCCOCCOCCNC4=CC=CC=5C(=O)N(C(=O)C45)C6C(=O)NC(=O)CC6
Molecular Formula
C41H45BrFN9O11S
Molecular Weight
970.82
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[[5-Bromo-2-[4-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfamoyl]-2-methylanilino]pyrimidin-4-yl]amino]-6-fluorobenzamide
CAS Number2488892-09-5
PubChem CID155184605
IUPAC Name2-[[5-bromo-2-[4-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfamoyl]-2-methylanilino]pyrimidin-4-yl]amino]-6-fluorobenzamide
Molecular FormulaC41H45BrFN9O11S
Molecular Weight970.8
XLogP3.3
Topological Polar Surface Area280
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count18
Rotatable Bond Count24
Heavy Atom Count64
Formal Charge0
Complexity1700
SMILES
CC1=C(C=CC(=C1)S(=O)(=O)NCCOCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C3=O)C4CCC(=O)NC4=O)NC5=NC=C(C(=N5)NC6=C(C(=CC=C6)F)C(=O)N)Br
InChI
InChI=1S/C41H45BrFN9O11S/c1-24-22-25(8-9-29(24)49-41-46-23-27(42)37(51-41)48-31-7-3-5-28(43)35(31)36(44)54)64(58,59)47-13-15-61-17-19-63-21-20-62-18-16-60-14-12-45-30-6-2-4-26-34(30)40(57)52(39(26)56)32-10-11-33(53)50-38(32)55/h2-9,22-23,32,45,47H,10-21H2,1H3,(H2,44,54)(H,50,53,55)(H2,46,48,49,51)
InChIKey
ZOJWMCDSTRTTOW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[[5-Bromo-2-[4-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfamoyl]-2-methylanilino]pyrimidin-4-yl]amino]-6-fluorobenzamide
CAS: 2488892-09-5
CID: 155184605
Formula: C41H45BrFN9O11S
MW: 970.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight970.8
XLogP33.3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count18
Rotatable Bond Count24
Exact Mass969.21267
Monoisotopic Mass969.21267
Topological Polar Surface Area280 Ų
Heavy Atom Count64
Formal Charge0
Complexity1700
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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