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Chemical structure of Antiproliferative agent-13

GC66034

Antiproliferative agent-13

Also known as 6-amino-8-(3,4,5-trimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile

Antiproliferative agent-13 (compound 16c) shows an antiproliferative activity against human A375 cells with an IC50 value of 32·7 nM· Antiproliferative agent-13 can be used for the research of cancer

ChemicalCAS663214-48-0MW382.37FormulaC20H18N2O6
CAS number
663214-48-0
Molecular weight
382.37
Formula
C20H18N2O6
Solubility
DMSO ： 50 mg/mL (130·76 mM; ultrasonic and warming and heat to 60°C)
InChIKey
LLTPNRJVRNURSX-UHFFFAOYSA-N
Catalogue number
GC66034
Brand
GLPBIO
Computed properties PubChem CID 3153314 · XLogP 3 · TPSA 105 Ų · H-bond donors 1
XLogP
3
TPSA
105 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
28

SMILES COC1=CC(=CC(=C1OC)OC)C2C3=CC4=C(C=C3OC(=C2C#N)N)OCO4

Computed descriptors from PubChem (CID 3153314), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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