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Chemical structure of PROTAC BET degrader-2

GC32980

PROTAC BET degrader-2

Also known as 4-[(3-cyclopropyl-1-ethylpyrazol-5-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide

PROTAC BET degrader-2 is a PROTAC connected by ligands for Cereblon and BET with an IC50 value of 9·6 nM in cell growth inhibition in the RS4;11 cells and capable of achieving tumor regression

ChemicalCAS2093388-33-9MW770.84FormulaC41H42N10O6
CAS number
2093388-33-9
Molecular weight
770.84
Formula
C41H42N10O6
Solubility
DMSO ： 50 mg/mL (64·86 mM);Water ： ＜ 0·1 mg/mL (insoluble)
InChIKey
LKCUEUQTTCOYPW-UHFFFAOYSA-N
Catalogue number
GC32980
Brand
GLPBIO
Computed properties PubChem CID 137319718 · XLogP 4.4 · TPSA 202 Ų · H-bond donors 4
XLogP
4.4
TPSA
202 Ų
H-bond donors
4
H-bond acceptors
11
Rotatable bonds
12
Heavy atoms
57

SMILES CCN1C(=CC(=N1)C2CC2)NC3=NC(=NC4=C3C5=CC(=C(C=C5N4)C6=C(ON=C6C)C)OC)C(=O)NCCCC7=C8CN(C(=O)C8=CC=C7)C9CCC(=O)NC9=O

Computed descriptors from PubChem (CID 137319718), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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