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Chemical structure of PROTAC FLT-3 degrader 1

GC65555

PROTAC FLT-3 degrader 1

Also known as (2S,4R)-1-[(2S)-2-[3-[2-[2-[2-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]imidazo[2,1-b][1,3]benzothiazol-6-yl]oxyethoxy]ethoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

PROTAC FLT-3 degrader 1 is a von Hippel-Lindau-based PROTAC FLT-3 internal tandem duplication (ITD) degrader with an IC50 0·6 nM· Anti-proliferative activity; apoptosis induction

ChemicalCAS2230826-81-8MW1020.23FormulaC52H61N9O9S2
CAS number
2230826-81-8
Molecular weight
1020.23
Formula
C52H61N9O9S2
Solubility
DMSO ： 150 mg/mL (147·03 mM; Need ultrasonic)
InChIKey
IKJBYQODYFQASC-YKCITUTQSA-N
Catalogue number
GC65555
Brand
GLPBIO
Computed properties PubChem CID 135172387 · XLogP 7.7 · TPSA 280 Ų · H-bond donors 5
XLogP
7.7
TPSA
280 Ų
H-bond donors
5
H-bond acceptors
14
Rotatable bonds
21
Heavy atoms
72

SMILES CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCOCCOCCOC4=CC5=C(C=C4)N6C=C(N=C6S5)C7=CC=C(C=C7)NC(=O)NC8=NOC(=C8)C(C)(C)C)O

Computed descriptors from PubChem (CID 135172387), 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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