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Chemical structure of THAL-SNS-032

GC65346

THAL-SNS-032

Also known as N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperidine-4-carboxamide

THAL-SNS-032 is a selective CDK9 degrader PROTAC consisting of a CDK-binding SNS-032 ligand linked to a thalidomide derivative that binds the E3 ubiquitin ligase Cereblon (CRBN)

ChemicalCAS2139287-33-3MW869.02FormulaC40H52N8O10S2
CAS number
2139287-33-3
Molecular weight
869.02
Formula
C40H52N8O10S2
Solubility
DMSO ： 100 mg/mL (115·07 mM; Need ultrasonic)
InChIKey
BXDZOYLPNAIDOC-UHFFFAOYSA-N
Catalogue number
GC65346
Brand
GLPBIO
Computed properties PubChem CID 131801483 · XLogP 2.8 · TPSA 277 Ų · H-bond donors 4
XLogP
2.8
TPSA
277 Ų
H-bond donors
4
H-bond acceptors
16
Rotatable bonds
22
Heavy atoms
60

SMILES CC(C)(C)C1=CN=C(O1)CSC2=CN=C(S2)NC(=O)C3CCN(CC3)CC(=O)NCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O

Computed descriptors from PubChem (CID 131801483), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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