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Chemical structure of MS78

GC73228

MS78

Also known as 2-[2-[2-[2-[4-[[4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]ethyl]-2-fluorophenoxy]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-[[9-ethyl-7-(4-methylthiophen-2-yl)carbazol-3-yl]methyl]ethanamine

MS78 is an acetylation targeting chimera (AceTAC) that acetylates the p53 tumor suppressor protein

ChemicalCAS3034773-00-4MW1024.25FormulaC57H66FN9O6S
CAS number
3034773-00-4
Molecular weight
1024.25
Formula
C57H66FN9O6S
Solubility
DMSO ： 135 mg/mL (131·80 mM; Need ultrasonic)
InChIKey
VUCLYKMHGXYBCF-UHFFFAOYSA-N
Catalogue number
GC73228
Brand
GLPBIO
Computed properties PubChem CID 168475854 · XLogP 7.5 · TPSA 169 Ų · H-bond donors 1
XLogP
7.5
TPSA
169 Ų
H-bond donors
1
H-bond acceptors
14
Rotatable bonds
26
Heavy atoms
74

SMILES CCN1C2=C(C=C(C=C2)CNCCOCCOCCOCCN3C=C(N=N3)COC4=C(C=C(C=C4)CCC5=NC6=C(N5CCN7CCOCC7)C=CC(=C6)C8=C(ON=C8C)C)F)C9=C1C=C(C=C9)C1=CC(=CS1)C

Computed descriptors from PubChem (CID 168475854), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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