CB 1954
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Names
[ CAS No. ]:
21919-05-1
[ Name ]:
CB 1954
[Synonym ]:
5-(1-Aziridinyl)-2,4-dinitrobenzamide
2,4-Dinitro-5-ethyleneiminobenzamide
2,4-Dinitroethyleneiminobenzamide
5-(aziridyn-1-yl)-2,4-dinitrobenzamide
Benzamide, 5-(1-aziridinyl)-2,4-dinitro-
5-Aziridinyl-2,4-dinitrobenzamide
CB-1954
5-(Aziridin-1-yl)-2,4-dinitrobenzamide
Tretazicar
1 (5 carbamoyl 2,4 dinitrophenyl)aziridine
UNII-7865D5D01M
5-aziridino-2,4-dinitrobenzamide
Chemical & Physical Properties
[ Density]:
1.7±0.1 g/cm3
[ Boiling Point ]:
427.2±45.0 °C at 760 mmHg
[ Melting Point ]:
173 °C
[ Molecular Formula ]:
C9H8N4O5
[ Molecular Weight ]:
252.184
[ Flash Point ]:
212.2±28.7 °C
[ Exact Mass ]:
252.049469
[ PSA ]:
137.74000
[ LogP ]:
1.28
[ Vapour Pressure ]:
0.0±1.0 mmHg at 25°C
[ Index of Refraction ]:
1.715
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- CV2345000
- CHEMICAL NAME :
- Benzamide, 5-(1-aziridinyl)-2,4-dinitro-
- CAS REGISTRY NUMBER :
- 21919-05-1
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 10
- MOLECULAR FORMULA :
- C9-H8-N4-O5
- MOLECULAR WEIGHT :
- 252.21
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 29 mg/kg
- TOXIC EFFECTS :
- Gastrointestinal - gastritis Gastrointestinal - ulceration or bleeding from stomach Blood - hemorrhage
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 22 mg/kg
- TOXIC EFFECTS :
- Gastrointestinal - gastritis Gastrointestinal - ulceration or bleeding from stomach Blood - hemorrhage
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 22 mg/kg
- TOXIC EFFECTS :
- Gastrointestinal - gastritis Gastrointestinal - ulceration or bleeding from stomach Blood - hemorrhage
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraduodenal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 10 mg/kg
- TOXIC EFFECTS :
- Gastrointestinal - gastritis Gastrointestinal - ulceration or bleeding from stomach Blood - hemorrhage
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 176 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
MUTATION DATA
- TYPE OF TEST :
- DNA damage
- TEST SYSTEM :
- Rodent - hamster Lung
- DOSE/DURATION :
- 10 umol/L
- REFERENCE :
- BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 37,4661,1988
Safety Information
[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
[ RIDADR ]:
NONH for all modes of transport
[ HS Code ]:
2933990090
Customs
[ HS Code ]: 2933990090
[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
Articles
Bioorg. Med. Chem. 20(11) , 3540-50, (2012)
A set of PCR primers based on the genome sequence were used to clone a gene encoding a hypothetical nitroreductases (named as Ssap-NtrB) from uropathogenic staphylococcus, Staphylococcus saprophyticus...
J. Biotechnol. 150(1) , 190-4, (2010)
CB1954 is an anti-cancer prodrug that can be reduced at either of two nitro groups to form cytotoxic metabolites. We describe here two efficient and previously uncharacterized nitroreductases, YfkO fr...
Curr. Pharm. Des. 9(26) , 2091-104, (2003)
CB 1954 [5-(aziridin-1-yl)-2,4-dinitrobenzamide] has been the subject of continued interest for over 30 years. As an anti-cancer agent, it represents one of the very few examples of a compound that sh...