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TMX-2138

CAT: 0013-GTR19250320-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19250320-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TMX-2138 is a potent PROTAC degrader targeting multiple CDKs, including CDK1, CDK2, CDK5, and CDK9, with IC50 values in the low nanomolar range. It induces CDK ubiquitination and degradation and is a valuable chemical tool for ovarian cancer research in both cellular and in vivo models.
CAS Number
2488892-07-3
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Smiles
O=C (N) C=1C (F) =CC=CC1NC2=NC (=NC=C2Br) NC3=CC=C (C=C3) S (=O) (=O) NCCOCCOCCOCCOCCNC4=CC=CC=5C (=O) N (C (=O) C45) C6C (=O) NC (=O) CC6
Molecular Formula
C40H43BrFN9O11S
Molecular Weight
956.791
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-((5-bromo-2-((4-(N-(14-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)-3,6,9,12-tetraoxatetradecyl)sulfamoyl)phenyl)amino)pyrimidin-4-yl)amino)-6-fluorobenzamide
CAS Number2488892-07-3
PubChem CID155168919
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]anilino]pyrimidin-4-yl]amino]-6-fluorobenzamide
Molecular FormulaC40H43BrFN9O11S
Molecular Weight956.8
XLogP3
Topological Polar Surface Area280
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count18
Rotatable Bond Count24
Heavy Atom Count63
Formal Charge0
Complexity1660
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCOCCOCCOCCOCCNS(=O)(=O)C4=CC=C(C=C4)NC5=NC=C(C(=N5)NC6=C(C(=CC=C6)F)C(=O)N)Br
InChI
InChI=1S/C40H43BrFN9O11S/c41-27-23-45-40(50-36(27)48-30-6-2-4-28(42)34(30)35(43)53)47-24-7-9-25(10-8-24)63(57,58)46-14-16-60-18-20-62-22-21-61-19-17-59-15-13-44-29-5-1-3-26-33(29)39(56)51(38(26)55)31-11-12-32(52)49-37(31)54/h1-10,23,31,44,46H,11-22H2,(H2,43,53)(H,49,52,54)(H2,45,47,48,50)
InChIKey
FCFITSHNFYGDJJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((5-bromo-2-((4-(N-(14-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)-3,6,9,12-tetraoxatetradecyl)sulfamoyl)phenyl)amino)pyrimidin-4-yl)amino)-6-fluorobenzamide
CAS: 2488892-07-3
CID: 155168919
Formula: C40H43BrFN9O11S
MW: 956.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight956.8
XLogP33
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count18
Rotatable Bond Count24
Exact Mass955.19702
Monoisotopic Mass955.19702
Topological Polar Surface Area280 Ų
Heavy Atom Count63
Formal Charge0
Complexity1660
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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