Introduction：Basic information about CAS 81424-67-1|Caracemide, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Caracemide |
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| CAS Number | 81424-67-1 | Molecular Weight | 189.16900 |
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| Density | 1.259g/cm3 | Boiling Point | / |
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| Molecular Formula | C6H11N3O4 | Melting Point | / |
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| MSDS | / | Flash Point | / |
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Names
| Name | Caracemide |
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| Synonym | More Synonyms |
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Caracemide BiologicalActivity
| Description | Caracemide (NSC-253272) is a novel anticancer agent derived from a hydroxamic acid. Caracemide inactivates R1 by covalent modification at the substrate-binding site and inhibits the enzyme ribonucleotide reductase of Escherichia coli. Caracemide has demonstrated to produce severe central nervous system (CNS) toxicity. Caracemide has a toxic metabolite, methylisocyanate (MIC), in vivo[1][2]. |
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| Related Catalog | Research Areas >>CancerResearch Areas >>InfectionSignaling Pathways >>Cell Cycle/DNA Damage >>DNA/RNA SynthesisSignaling Pathways >>Anti-infection >>Bacterial |
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| In Vivo | The mercapturic acid derivative AMCC was identified in urine rats following administration to rats of a single i.p. dose (6.6 mg/kg) of caracemide (NSC-253272)[1]. . |
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| References | [1]. Slatter JG, et al. Studies on the metabolic fate of caracemide, an experimental antitumor agent, in the rat. Evidence for the release of methyl isocyanate in vivo. Chem Res Toxicol. 1993 May-Jun;6(3):335-40. [2]. Larsen IK, et al. Caracemide, a site-specific irreversible inhibitor of protein R1 of Escherichia coli ribonucleotide reductase. J Biol Chem. 1992 Jun 25;267(18):12627-31. |
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Chemical & Physical Properties
| Density | 1.259g/cm3 |
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| Molecular Formula | C6H11N3O4 |
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| Molecular Weight | 189.16900 |
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| Exact Mass | 189.07500 |
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| PSA | 87.74000 |
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| LogP | 0.22710 |
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| Index of Refraction | 1.479 |
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| InChIKey | JURAJLFHWXNPHG-UHFFFAOYSA-N |
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| SMILES | CNC(=O)ON(C(C)=O)C(=O)NC |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- AC5961200
- CHEMICAL NAME :
- Acetamide, N-((methylamino)carbonyl)-N-(((methylamino)carbonyl)o xy)-
- CAS REGISTRY NUMBER :
- 81424-67-1
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 7
- MOLECULAR FORMULA :
- C6-H11-N3-O4
- MOLECULAR WEIGHT :
- 189.20
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 388 mg/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 :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 167 mg/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 :
- 238 mg/kg
- TOXIC EFFECTS :
- Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
MUTATION DATA - TYPE OF TEST :
- DNA inhibition
- TEST SYSTEM :
- Rodent - mouse Ascites tumor
- DOSE/DURATION :
- 50 umol/L
- REFERENCE :
- NEOLA4 Neoplasma. (Karger-Libri, P.O. Box, CH-4009 Basel, Switzerland) V.4- 1957- Volume(issue)/page/year: 35,27,1988
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Synonyms
| N-Acetyl-N-(methylcarbamoyloxy)-N'-methylurea |
| N-((methylamino)carbonyl)-N-(((methylamino)carbonyl)oxy)acetamide |
