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经验公式(希尔记法):
C19H20N4O2S2
化学文摘社编号:
分子量:
400.52
UNSPSC Code:
12352200
NACRES:
NA.77
MDL number:
Assay:
≥98% (HPLC)
Form:
powder
产品名称
Elesclomol, ≥98% (HPLC)
assay
≥98% (HPLC)
form
powder
color
white to beige
solubility
DMSO: 2 mg/mL, clear
storage temp.
−20°C
SMILES string
S=C(N(NC(=O)CC(=O)NN(C)C(=S)c2ccccc2)C)c1ccccc1
InChI
1S/C19H20N4O2S2/c1-22(18(26)14-9-5-3-6-10-14)20-16(24)13-17(25)21-23(2)19(27)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3,(H,20,24)(H,21,25)
InChI key
BKJIXTWSNXCKJH-UHFFFAOYSA-N
Biochem/physiol Actions
Copper (II)-chelating malonohydrazide derivative with in vitro and in vivo anticancer efficacy via reactive oxygen species (ROS) & apoptosis induction.
Elesclomol (STA-4783) is a copper (II)-chelating malonohydrazide derivative that exerts its in vitro and in vivo anticancer efficacy via reactive oxygen species (ROS)/oxidative stress & apoptosis induction in a Cu(II)-dependent manner (GI50 = 12 nM without vs. 129 nM with Cu2+ removal by TRIEN in K562 culture; typical conc. range 0.1-2 μM in cultures). Elesclomol chelates extracellular Cu(II) for mitochondria delivery, where upon Cu2+ reduction (to Cu+) & ROS generation, copper-free elesclomol then exits cells for continual Cu(II) shuttling and accumulation in mitochondria. In addition to Cu2+, elesclomol can also chelate Co2+ and Ni2+, but not Fe3+ or Zn2+.
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable