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Chemical structure of DB0614

GC71011

DB0614

Also known as N-[3-[2-[4-[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentyl]piperazin-1-yl]anilino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide

DB0614 (Example 21) is a bifunctional compound targeted protein degradation of kinases

ChemicalCAS2769753-47-9MW822.95FormulaC41H42N8O7S2
CAS number
2769753-47-9
Molecular weight
822.95
Formula
C41H42N8O7S2
Solubility
DMSO ： 2·78 mg/mL (3·38 mM; ultrasonic and warming and adjust pH to 5 with HCl and heat to 60°C; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
GZRWNUKQJFXVTH-UHFFFAOYSA-N
Catalogue number
GC71011
Brand
GLPBIO
Computed properties PubChem CID 163276212 · XLogP 4.7 · TPSA 220 Ų · H-bond donors 3
XLogP
4.7
TPSA
220 Ų
H-bond donors
3
H-bond acceptors
14
Rotatable bonds
14
Heavy atoms
58

SMILES CS(=O)(=O)NC1=CC=CC(=C1)C2=CSC3=CN=C(N=C32)NC4=CC=C(C=C4)N5CCN(CC5)CCCCCOC6=CC=CC7=C6C(=O)N(C7=O)C8CCC(=O)NC8=O

Computed descriptors from PubChem (CID 163276212), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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