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Chemical structure of PROTAC BRD9 Degrader-1

GC33372

PROTAC BRD9 Degrader-1

Also known as N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]-2-[4-[2-[N'-(1,1-dioxothian-4-yl)carbamimidoyl]-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]-2-methoxyphenoxy]acetamide

PROTAC BRD9 Degrader-1 is a PROTAC connected by ligands for Cereblon and BRD9 (IC50=13·5 nM), which can be used as a selective probe useful for the study of BAF complex biology

ChemicalCAS2097971-01-0MW903.98FormulaC42H45N7O12S2
CAS number
2097971-01-0
Molecular weight
903.98
Formula
C42H45N7O12S2
Solubility
DMSO ： 150 mg/mL (165·93 mM)
InChIKey
LOLHUPGCPDURJG-UHFFFAOYSA-N
Catalogue number
GC33372
Brand
GLPBIO
Computed properties PubChem CID 137628637 · XLogP 0.8 · TPSA 299 Ų · H-bond donors 4
XLogP
0.8
TPSA
299 Ų
H-bond donors
4
H-bond acceptors
14
Rotatable bonds
16
Heavy atoms
63

SMILES CN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=C(C=C4)OCC(=O)NCCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C6=O)C7CCC(=O)NC7=O)OC

Computed descriptors from PubChem (CID 137628637), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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