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Chemical structure of Chaetocin

GC14936

Chaetocin

Also known as 14-(hydroxymethyl)-3-[14-(hydroxymethyl)-18-methyl-13,17-dioxo-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-trien-3-yl]-18-methyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione

Chaetocin was reported to be a nonspecific inhibitor of histone methyl transferase (HMT) such as SUV39H1, thereby affecting gene expression

ChemicalCAS28097-03-2MW696.84FormulaC30H28N6O6S4
CAS number
28097-03-2
Molecular weight
696.84
Formula
C30H28N6O6S4
Solubility
DMSO： 25 mg/ml
InChIKey
PZPPOCZWRGNKIR-UHFFFAOYSA-N
Catalogue number
GC14936
Brand
GLPBIO
Computed properties PubChem CID 161591 · XLogP 2 · TPSA 247 Ų · H-bond donors 4
XLogP
2
TPSA
247 Ų
H-bond donors
4
H-bond acceptors
12
Rotatable bonds
3
Heavy atoms
46

SMILES CN1C(=O)C23CC4(C(N2C(=O)C1(SS3)CO)NC5=CC=CC=C54)C67CC89C(=O)N(C(C(=O)N8C6NC1=CC=CC=C71)(SS9)CO)C

Computed descriptors from PubChem (CID 161591), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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