乙嘧替氟
乙嘧替氟用途
Emitefur 是一种有口服活性的,有效的抗癌药物。Emitefur 可用于晚期胃癌患者。
乙嘧替氟名称
乙嘧替氟生物活性
乙嘧替氟物理化学性质
[ 密度 ]:
1.52 g/cm3
[ 沸点 ]:
755.1ºC at 760 mmHg
[ 熔点 ]:
162-164°
[ 分子式 ]:
C28H19FN4O8
[ 分子量 ]:
558.47100
[ 闪点 ]:
410.5ºC
[ 精确质量 ]:
558.11900
[ PSA ]:
159.58000
[ LogP ]:
2.53668
[ 蒸汽压 ]:
1.09E-22mmHg at 25°C
[ 折射率 ]:
1.663
乙嘧替氟毒性和生态
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 DATA
ACUTE 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
乙嘧替氟制备
间苯二甲酰氯(Ⅰ)和化合物(Ⅱ)在三乙胺作用下,在二氧六环中回流,缩合得到化合物(Ⅲ)。再和化合物(Ⅳ)在三乙胺及乙腈中回流,即得乙嘧替氟。
上述合成中用到的化合物(Ⅳ)可由苯甲酰氯和3-氰基-2,6-二羟基吡啶,在三乙胺及二甲基甲酰胺中缩合而得。
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