Introduction：Basic information about CAS 110690-43-2|emitefur, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | emitefur |
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| CAS Number | 110690-43-2 | Molecular Weight | 558.47100 |
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| Density | 1.52 g/cm3 | Boiling Point | 755.1ºC at 760 mmHg |
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| Molecular Formula | C28H19FN4O8 | Melting Point | 162-164° |
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| MSDS | / | Flash Point | 410.5ºC |
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Names
| Name | (6-benzoyloxy-3-cyanopyridin-2-yl) 3-[3-(ethoxymethyl)-5-fluoro-2,6-dioxopyrimidine-1-carbonyl]benzoate |
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emitefur BiologicalActivity
| Description | Emitefur is an orally active and potent anticancer drug. Emitefur can be used for advanced gastric cancer patients[1]. |
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| Related Catalog | Research Areas >>CancerSignaling Pathways >>Others >>Others |
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| References | [1]. Sugimachi K, et al. A phase II trial of a new 5-fluorouracil derivative, BOF-A2 (Emitefur), for patients with advanced gastric cancer. Surg Today. 2000;30(12):1067-72. |
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Chemical & Physical Properties
| Density | 1.52 g/cm3 |
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| Boiling Point | 755.1ºC at 760 mmHg |
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| Melting Point | 162-164° |
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| Molecular Formula | C28H19FN4O8 |
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| Molecular Weight | 558.47100 |
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| Flash Point | 410.5ºC |
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| Exact Mass | 558.11900 |
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| PSA | 159.58000 |
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| LogP | 2.53668 |
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| Vapour Pressure | 1.09E-22mmHg at 25°C |
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| Index of Refraction | 1.663 |
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| InChIKey | WTSKMKRYHATLLL-UHFFFAOYSA-N |
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| SMILES | CCOCn1cc(F)c(=O)n(C(=O)c2cccc(C(=O)Oc3nc(OC(=O)c4ccccc4)ccc3C#N)c2)c1=O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DG9895000
- CHEMICAL NAME :
- Benzoic acid, 3-((3-(ethoxymethyl)-5-fluoro-3,6-dihydro-2,6-dioxo-1 (2H)-pyrimidinyl) carbonyl)-, 6-(benzoyloxy)-3-cyano-2-pyridinyl ester
- CAS REGISTRY NUMBER :
- 110690-43-2
- LAST UPDATED :
- 199503
- DATA ITEMS CITED :
- 13
- MOLECULAR FORMULA :
- C28-H19-F-N4-O8
- MOLECULAR WEIGHT :
- 558.51
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1850 mg/kg
- TOXIC EFFECTS :
- Blood - changes in spleen Skin and Appendages - hair Nutritional and Gross Metabolic - body temperature decrease
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 250 mg/kg
- TOXIC EFFECTS :
- Behavioral - food intake (animal) Gastrointestinal - hypermotility, diarrhea
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >5 gm/kg
- TOXIC EFFECTS :
- Gastrointestinal - other changes Blood - changes in spleen Nutritional and Gross Metabolic - body temperature decrease
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Primate - monkey
- DOSE/DURATION :
- 250 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Gastrointestinal - hypermotility, diarrhea Blood - changes in spleen
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3640 mg/kg/13W-I
- TOXIC EFFECTS :
- Blood - changes in erythrocyte (RBC) count Blood - changes in leukocyte (WBC) count Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3640 mg/kg/1Y-I
- TOXIC EFFECTS :
- Behavioral - food intake (animal) Blood - changes in spleen Blood - other changes
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Primate - monkey
- DOSE/DURATION :
- 7280 mg/kg/1Y-I
- TOXIC EFFECTS :
- Nutritional and Gross Metabolic - changes in chlorine Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - dehydrogenases
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Primate - monkey
- DOSE/DURATION :
- 2730 mg/kg/13W-I
- TOXIC EFFECTS :
- Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 520 mg/kg
- SEX/DURATION :
- female 17-21 day(s) after conception lactating female 21 day(s) post-birth
- TOXIC EFFECTS :
- Reproductive - Effects on Newborn - behavioral
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 65 mg/kg
- SEX/DURATION :
- female 6-18 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - musculoskeletal system
- TYPE OF TEST :
- Micronucleus test
MUTATION DATA - TYPE OF TEST :
- Cytogenetic analysis
- TEST SYSTEM :
- Rodent - hamster Ovary
- DOSE/DURATION :
- 60 mg/L
- REFERENCE :
- JTSCDR Journal of Toxicological Sciences. (Japanese Soc. of Toxicological Sciences, 4th Floor, Gakkai Center Bldg., 4-16, Yayoi 2-chome, Bunkyo-ku, Tokyo 113, Japan) V.1- 1976- Volume(issue)/page/year: 18(Suppl 3),11,1993
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