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TD-165

CAT: 0013-GTR19202852-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202852-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TD-165 is a heterobifunctional PROTAC molecule designed to degrade cereblon (CRBN) by recruiting the VHL E3 ubiquitin ligase complex. This tool compound is used in chemical biology and oncology research to study targeted protein degradation mechanisms in both cellular and in vivo models.
CAS Number
2305936-56-3
Product Name Alternative
CRBN, degrader, Cereblon:20.4 nM (DC50), Cereblon, inhibit, Inhibitor, HEK293T, PROTAC-based, PROTACs, TD 165, TD165, TD-165
Field of Research
Pharmacology & Drug Discovery
Purity
98.80% (May vary between batches)
Solubility
DMSO:40 mg/mL (45.97 mM)
Smiles
O=C1C=2C (C (=O) N1C3C (=O) NC (=O) CC3) =CC=CC2NCCCCCCCCCCC (N[C@H] (C (=O) N4[C@H] (C (NCC5=CC=C (C=C5) C=6SC=NC6C) =O) C[C@@H] (O) C4) C (C) (C) C) =O
Molecular Formula
C46H59N7O8S
Molecular Weight
870.07
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2S,4R)-1-((2S)-2-(11-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)undecanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide
CAS Number2305936-56-3
PubChem CID138574052
IUPAC Name(2S,4R)-1-[(2S)-2-[11-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]undecanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
Molecular FormulaC46H59N7O8S
Molecular Weight870.1
XLogP6.5
Topological Polar Surface Area235
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count20
Heavy Atom Count62
Formal Charge0
Complexity1620
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCCCCCCNC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O)O
InChI
InChI=1S/C46H59N7O8S/c1-28-39(62-27-49-28)30-19-17-29(18-20-30)25-48-41(57)35-24-31(54)26-52(35)45(61)40(46(2,3)4)50-36(55)16-11-9-7-5-6-8-10-12-23-47-33-15-13-14-32-38(33)44(60)53(43(32)59)34-21-22-37(56)51-42(34)58/h13-15,17-20,27,31,34-35,40,47,54H,5-12,16,21-26H2,1-4H3,(H,48,57)(H,50,55)(H,51,56,58)/t31-,34?,35+,40-/m1/s1
InChIKey
KSXVXTSIDVRZBR-IINAPWRYSA-N
Chemical Structure
2D Structure
2D structure of (2S,4R)-1-((2S)-2-(11-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)undecanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide
CAS: 2305936-56-3
CID: 138574052
Formula: C46H59N7O8S
MW: 870.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight870.1
XLogP36.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count20
Exact Mass869.41458304
Monoisotopic Mass869.41458304
Topological Polar Surface Area235 Ų
Heavy Atom Count62
Formal Charge0
Complexity1620
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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