ジドックス

ジドックス · N,3,4-トリヒドロキシベンズアミド · Didox · dido · NSC-324360 · Didox, NSC-324360 · Didox Exclusive · Didox, 10 mM in DMSO

識別子と物理属性

CAS No.	69839-83-4
分子式	C7H7NO4
平均分子量	169.13 g/mol
単同位体質量	169.0375077 g/mol
SMILES	O=C(NO)c1ccc(O)c(O)c1
InChIKey	QJMCKEPOKRERLN-UHFFFAOYSA-N
PubChem CID	3045
ChEMBL	CHEMBL367788
ChEBI	CHEBI:184074
DTXSID	DTXSID90220134
現地名	ジドックス

化学・物理的性質

XLogP	0.4
極性表面積	89.8
水素結合供与体数	4
水素結合受容体数	4
回転可能結合数	1
重原子数	12
形式電荷	0
複雑度	173
医薬品	Pharmaceuticals -> Listed in ZINC15
融点	207 °C
密度	1.571±0.06 g/cm3(Predicted)
貯蔵条件	Inert atmosphere,Store in freezer, under -20°C
溶解度	DMSO:60.0(Max Conc. mg/mL)354.76(Max Conc. mM)DMF:20.0(Max Conc. mg/mL)118.25(Max Conc. mM)Ethanol:20.0(Max Conc. mg/mL)118.25(Max Conc. mM)PBS (pH 7.2):10.0(Max Conc. mg/mL)59.13(Max Conc. mM)
外観・状態	A crystalline solid
pKa（酸解離定数）	8.16±0.20(Predicted)
色	Light yellow to khaki
InChI	InChI=1S/C7H7NO4/c9-5-2-1-4(3-6(5)10)7(11)8-12/h1-3,9-10,12H,(H,8,11)
InChIKey	QJMCKEPOKRERLN-UHFFFAOYSA-N
SMILES	C(NO)(=O)C1=CC=C(O)C(O)=C1

安全性と法規制

毒性	LD10 unreported in mouse: 643mg/kg

用途

説明

Polyhydroxylated aromatic compounds, both natural and synthetic, are important biological antioxidants. Didox is a simple, synthetic antioxidant that has been found to reduce the levels of oxidative injury markers in the brains of HIV patients with dementia. It also increases the radiosensitivity of cancer cells by inhibition of ribonucleotide reductase, resulting in a reduction of bcl-2 mediated resistance to apoptosis.

使用

Didox is a synthetic antioxidant that reduces oxidative injury levels.