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Chemical structure of AT6

GC33354

AT6

Also known as (2S,4R)-1-[(2R)-2-acetamido-3-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethylsulfanyl]-3-methylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

AT6 is a PROTAC AT1 analogue, which is a PROTAC connected by ligands for von Hippel-Lindau and BRD4 with highly selectivity to bromodomain (Brd4)

ChemicalCAS2098836-50-9MW1004.68FormulaC48H58ClN9O7S3
CAS number
2098836-50-9
Molecular weight
1004.68
Formula
C48H58ClN9O7S3
Solubility
Soluble in DMSO
InChIKey
ZCEIHPCVOJGWHG-TZPPCSJFSA-N
Catalogue number
GC33354
Brand
GLPBIO
Computed properties PubChem CID 124201839 · XLogP 4.6 · TPSA 284 Ų · H-bond donors 4
XLogP
4.6
TPSA
284 Ų
H-bond donors
4
H-bond acceptors
14
Rotatable bonds
20
Heavy atoms
68

SMILES CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NCCOCCOCCSC(C)(C)[C@@H](C(=O)N4C[C@@H](C[C@H]4C(=O)NCC5=CC=C(C=C5)C6=C(N=CS6)C)O)NC(=O)C)C7=CC=C(C=C7)Cl)C

Computed descriptors from PubChem (CID 124201839), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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