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Chemical structure of PROTAC KRAS G12D degrader 1

GC75732

PROTAC KRAS G12D degrader 1

Also known as (2S,4R)-1-[(2S)-2-[[2-[4-[(2S)-2-[[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoropyrido[4,3-d]pyrimidin-2-yl]oxymethyl]pyrrolidin-1-yl]butoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

PROTAC KRAS G12D degrader 1 is a potent, rapid, and selective degrader of protac KRASG12D with DC50 of 38·06 nM

ChemicalCAS3033583-54-6MW1103.33FormulaC59H72F2N10O7S
CAS number
3033583-54-6
Molecular weight
1103.33
Formula
C59H72F2N10O7S
Solubility
DMSO: 10 mg/mL (9·06 mM; ultrasonic and warming and heat to 60°C)
InChIKey
KHIURKSPHCFKCV-FQLPBZNCSA-N
Catalogue number
GC75732
Brand
GLPBIO
Computed properties PubChem CID 170453287 · XLogP 8.4 · TPSA 236 Ų · H-bond donors 5
XLogP
8.4
TPSA
236 Ų
H-bond donors
5
H-bond acceptors
17
Rotatable bonds
20
Heavy atoms
79

SMILES CCC1=C(C=CC2=CC(=CC(=C21)C3=NC=C4C(=C3F)N=C(N=C4N5CC6CCC(C5)N6)OC[C@@H]7CCCN7CCCCOCC(=O)N[C@H](C(=O)N8C[C@@H](C[C@H]8C(=O)N[C@@H](C)C9=CC=C(C=C9)C1=C(N=CS1)C)O)C(C)(C)C)O)F

Computed descriptors from PubChem (CID 170453287), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Lead time
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Documents
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