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Chemical structure of ICG-Sulfo-OSu sodium

GF10805

ICG-Sulfo-OSu sodium

Also known as sodium 1-[6-[2-[7-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-2-ylidene]hepta-1,3,5-trienyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]hexanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate

ICG-Sulfo-OSu sodium is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs

ChemicalCAS190714-28-4MW930.07FormulaC49H52N3NaO10S2
CAS number
190714-28-4
Molecular weight
930.07
Formula
C49H52N3NaO10S2
Solubility
DMSO ： 62·5 mg/mL (67·20 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
PUIWPNXPCPENEL-UHFFFAOYSA-M
Catalogue number
GF10805
Brand
GLPBIO
Computed properties PubChem CID 76712065 · TPSA 201 Ų · H-bond donors 0 · H-bond acceptors 11
TPSA
201 Ų
H-bond donors
0
H-bond acceptors
11
Rotatable bonds
16
Heavy atoms
65

SMILES CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCCCCC(=O)ON4C(=O)CC(C4=O)S(=O)(=O)[O-])C=CC=CC=CC=C5C(C6=C(N5CCCCS(=O)(=O)[O-])C=CC7=CC=CC=C76)(C)C)C.[Na+]

Computed descriptors from PubChem (CID 76712065), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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