CAS 57998-68-2|Carbamic acid,N,N'-[2,5-bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl]b

Introduction：Basic information about CAS 57998-68-2|Carbamic acid,N,N'-[2,5-bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl]b, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameCarbamic acid,N,N'-[2,5-bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl]bis-,C,C'-diethyl ester
CAS Number57998-68-2Molecular Weight364.35300
Density1.45g/cm3Boiling Point469ºC at 760mmHg
Molecular FormulaC16H20N4O6Melting Point/
MSDS/Flash Point237.4ºC

Names

Nameethyl N-[2,5-bis(aziridin-1-yl)-4-(ethoxycarbonylamino)-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate
SynonymMore Synonyms

BiologicalActivity

DescriptionDiaziquone (Diaziquone) is a water-soluble, synthetic aziridinylbenzoquinone with potential antineoplastic activity[1].
Related CatalogResearch Areas >>CancerSignaling Pathways >>Others >>Others
In VivoDiaziquone (6.75mg /sq m daily for 5 consecutive days or single-dose 26 mg/sq m) has a broad range of activity of diaziquone against primary nervous system tumors and has enhancement effect combined with either 1,3-bis(2-chloroethyl)-1-nitrosourea or procarbazine in athymic mice[1]. Animal Model: Homozygous nu/nu BALB/c athymic mice[1] Dosage: 6.75mg /sq m or 26 mg/sq m Administration: 6.75mg /sq m daily for 5 consecutive days or single-dose 26 mg/sq m Result: Showed rapid clearance in the plasma of athymic mice with a half-life of approximately 11.5 min. Produced significant growth delays. Produced significant increases in the median growth delay, significant increases in the number of tumor regressions.

Chemical & Physical Properties

Density1.45g/cm3
Boiling Point469ºC at 760mmHg
Molecular FormulaC16H20N4O6
Molecular Weight364.35300
Flash Point237.4ºC
Exact Mass364.13800
PSA116.82000
LogP0.34240
Index of Refraction1.62
InChIKeyWVYXNIXAMZOZFK-UHFFFAOYSA-N
SMILESCCOC(=O)NC1=C(N2CC2)C(=O)C(NC(=O)OCC)=C(N2CC2)C1=O

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EY8794000
CHEMICAL NAME :
Carbamic acid, (2,5-bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadien-1, 4-diyl)bis-, diethyl ester
CAS REGISTRY NUMBER :
57998-68-2
BEILSTEIN REFERENCE NO. :
1333277
LAST UPDATED :
199612
DATA ITEMS CITED :
18
MOLECULAR FORMULA :
C16-H20-N4-O6
MOLECULAR WEIGHT :
364.40
WISWESSER LINE NOTATION :
L6V DV AU DUTJ BMVO2 C- AT3NTJ& EMVO2 F- AT3NTJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
11290 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
10300 ug/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Gastrointestinal - hypermotility, diarrhea Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
1250 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
1550 ug/kg/5D-I
TOXIC EFFECTS :
Behavioral - food intake (animal) Blood - changes in bone marrow (not otherwise specified) Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
2400 ug/kg/33D-I
TOXIC EFFECTS :
Gastrointestinal - other changes Blood - changes in bone marrow (not otherwise specified) Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Primate - monkey
DOSE/DURATION :
6250 ug/kg/5D-I
TOXIC EFFECTS :
Gastrointestinal - other changes Blood - changes in bone marrow (not otherwise specified) Blood - changes in spleen
TYPE OF TEST :
Micronucleus test
TYPE OF TEST :
Sister chromatid exchange
TYPE OF TEST :
Sister chromatid exchange

MUTATION DATA

TYPE OF TEST :
Unscheduled DNA synthesis
TEST SYSTEM :
Rodent - hamster Ovary
DOSE/DURATION :
300 nmol/L
REFERENCE :
PAACA3 Proceedings of the American Association for Cancer Research. (Waverly Press, 428 E. Preston St., Baltimore, MD 21202) V.1- 1954- Volume(issue)/page/year: 24,322,1983

Safety Information

Hazard CodesXn
Risk Phrases40

Synonyms

AZQ
2,5-di(aziridin-1-yl)-3,6-bis(carboethoxyamino)-1,4-benzoquinone
3,6-bis<(ethylcarboxy)amino>-2,5-diaziridinyl-1,4-benzoquinone
2,5-diaziridinyl-3,6-bis(carboethoxy-amino)-1,4-benzoquinone
diaziquone
CI-904
Diaziquonum [INN-Latin]
Aziridinylquinone
Aziridinylbenzoquinone
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