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Chemical structure of ACBI2

GC73359

ACBI2

Also known as (2S,4R)-N-[(1S,4S)-6-[4-(4-bromo-7-cyclopentyl-5-oxobenzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]-4-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]hexyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide

ACBI2 is a highly potent and orally active VHL PROTAC SMARCA2 degrader (EC50: 7 nM), which selectively degrades SMARCA2 with a DC50 value of 1 nM in RKO cells

ChemicalCAS2913161-19-8MW1064.16FormulaC56H68BrFN8O5S
CAS number
2913161-19-8
Molecular weight
1064.16
Formula
C56H68BrFN8O5S
Solubility
DMSO ： 125 mg/mL (117·46 mM; Need ultrasonic)
InChIKey
JBTHUOYYUUPUOZ-LIHPQFRDSA-N
Catalogue number
GC73359
Brand
GLPBIO
Computed properties PubChem CID 167738509 · XLogP 9.3 · TPSA 179 Ų · H-bond donors 3
XLogP
9.3
TPSA
179 Ų
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
16
Heavy atoms
72

SMILES CC1=C(SC=N1)C2=CC=C(C=C2)[C@H](CC[C@H](C)CCN3CCC(CC3)C4=CC5=C(C=C4)N6C7=C(C(=CC=C7)Br)C(=O)N=C6N5C8CCCC8)NC(=O)[C@@H]9C[C@H](CN9C(=O)[C@H](C(C)(C)C)NC(=O)C1(CC1)F)O

Computed descriptors from PubChem (CID 167738509), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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