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Chemical structure of PhosTAC7

GC64344

PhosTAC7

Also known as [(1R)-1-[3-[2-[2-[2-[2-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]phenyl]-3-(3,4-dimethoxyphenyl)propyl] (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate

Similar to PROTACs in their ability to induce ternary complexes, PhosTAC7 focuses on recruiting a Ser/Thr phosphatase to a phosphosubstrate to mediate its dephosphorylation

ChemicalCAS3016307-75-5MW1119.77FormulaC58H87ClN2O17
CAS number
3016307-75-5
Molecular weight
1119.77
Formula
C58H87ClN2O17
Solubility
DMSO ： 100 mg/mL (89·30 mM; ultrasonic and warming and heat to 60°C)
InChIKey
RPIBISHYKGHEDG-YGENRYQBSA-N
Catalogue number
GC64344
Brand
GLPBIO
Computed properties PubChem CID 162679293 · XLogP 7 · TPSA 196 Ų · H-bond donors 1
XLogP
7
TPSA
196 Ų
H-bond donors
1
H-bond acceptors
17
Rotatable bonds
45
Heavy atoms
78

SMILES CC[C@@H](C1=CC(=C(C(=C1)OC)OC)OC)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCC3=CC(=C(C=C3)OC)OC)C4=CC(=CC=C4)OCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCCCCCCl

Computed descriptors from PubChem (CID 162679293), 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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