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TMX-2172

CAT: 0013-GTR19242027-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242027-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TMX-2172 is a selective CDK2/CDK5 degrader with minimal off-target effects, demonstrating potent anti-proliferative activity in CCNE1-high ovarian cancer models like OVCAR8 cells. This lead compound supports research into targeted protein degradation as a therapeutic strategy for cyclin E1-amplified cancers in both in vitro and in vivo settings.
CAS Number
2488892-09-5
Field of Research
Cell Biology, Pharmacology & Drug Discovery
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
Storage Conditions
-20°C
Notes
For research use only.

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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