DIAZIQUONE

NSC - 182986

SMILE String: N1(C=2C(=O)C(=C(N3CC3)C(=O)C2NC(=O)OCC)NC(=O)OCC)CC1

Chemical Name: 2, 5-Bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-dicarbamic acid, diethyl ester

Other Names: AZQ; Aziridinylbenzoquinone

CAS Registry Number: 57998-68-2

Molecular Formula: C16H20N4O6        M.W.: 364.4

Approximate Solubility:           (mg/mL)
Water                              0.72
pH 4 buffer                         < 1
pH 9 buffer                         < 1
10% Ethanol                         < 1
95% Ethanol                         < 1
Methanol                            < 1
Chloroform                        5 - 7
5% Dimethylacetamide                1.5
Dimethylacetamide               20 - 25
Dimethylsulfoxide               25 - 30

Stability:

   Bulk: A sample stored at 60 °C in the dark for 30 days showed < 2% decomposition (HPLC).
   Solution: A sample in 5% DMA (1mg/mL) showed 18% decomposition after 8 hours at room temperature. (HPLC)

Ultraviolet Absorption:

(Methanol)

max                       E

217 ± 2 nm          22,000 - 22,800
341 ± 2 nm          13,900 - 14,300

High Performance Liquid Chromatography:

 Column: µ.- Bondapak Phenyl, 300 x 4 mm i.d.
 Mobile Phase: CH /0.01 M pH 7 phosphate, 15/85, v/v
 Flow Rate: 1.0 mL /min
 Detection: UV at 254 nm
 Sample Preparation: Sample solvent CH
 Retention Volume: 15 mL (NSC- 182986)

Toxicity Data:
 Mouse(iv): LD50 10300 ug/kg
 National Technical Information Service, PB80-177934