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Chemical structure of PROTAC BET Degrader-1

GC33109

PROTAC BET Degrader-1

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

PROTAC BET Degrader-1 is a PROTAC connected by ligands for Cereblon and BET, decreasing BRD2, BRD3, and BRD4 protein levels at low concentration

ChemicalCAS2093386-22-0MW871.9FormulaC44H45N11O9
CAS number
2093386-22-0
Molecular weight
871.9
Formula
C44H45N11O9
Solubility
DMSO ： ≥ 50 mg/mL (57·35 mM)
InChIKey
TXLUZGFDBDQACL-UHFFFAOYSA-N
Catalogue number
GC33109
Brand
GLPBIO
Computed properties PubChem CID 134691733 · XLogP 3.8 · TPSA 258 Ų · H-bond donors 5
XLogP
3.8
TPSA
258 Ų
H-bond donors
5
H-bond acceptors
14
Rotatable bonds
16
Heavy atoms
64

SMILES CCN1C(=CC(=N1)C2CC2)NC3=NC(=NC4=C3C5=CC(=C(C=C5N4)C6=C(ON=C6C)C)OC)C(=O)NCCCCNC(=O)COC7=CC=CC8=C7C(=O)N(C8=O)C9CCC(=O)NC9=O

Computed descriptors from PubChem (CID 134691733), 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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Documents
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