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Chemical structure of DC-S239

GC65186

DC-S239

Also known as ethyl 2-amino-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate

DC-S239 is a selective histone methyltransferase SET7 inhibitor with an IC50 value of 4·59 μM· DC-S239 also displays selectivity for DNMT1, DOT1L, EZH2, NSD1, SETD8 and G9a· DC-S239 has anticancer activity

ChemicalCAS303141-21-1MW349.36FormulaC15H15N3O5S
CAS number
303141-21-1
Molecular weight
349.36
Formula
C15H15N3O5S
Solubility
DMSO : 125 mg/mL (357·80 mM; Need ultrasonic)
InChIKey
SIVTXLSKYVOFHS-UHFFFAOYSA-N
Catalogue number
GC65186
Brand
GLPBIO
Computed properties PubChem CID 2258873 · XLogP 3.4 · TPSA 155 Ų · H-bond donors 2
XLogP
3.4
TPSA
155 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
24

SMILES CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])N

Computed descriptors from PubChem (CID 2258873), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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