(E)-5-(2-溴乙烯基)-2-脱氧尿苷结构式
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常用名 | (E)-5-(2-溴乙烯基)-2-脱氧尿苷 | 英文名 | (E)-4,4,4-TRIFLUORO-1-PHENYL-BUT-2-EN-1-ONE |
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CAS号 | 69304-49-0 | 分子量 | 217.02000 | |
密度 | 1.881g/cm3 | 沸点 | N/A | |
分子式 | C6H5BrN2O2 | 熔点 | 189-194ºC (dec.)(lit.) | |
MSDS | 美版 | 闪点 | N/A |
中文名 | (E)-5-(2-溴乙烯基)尿嘧啶 |
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英文名 | 5-[(E)-2-bromoethenyl]-1H-pyrimidine-2,4-dione |
中文别名 | (E)-5-(2-溴乙烯基)嘧啶-2,4(1H,3H)-二酮 | (E)-5-(2-溴乙烯基)-2-脱氧尿苷 | 5-[(1E)-2-溴乙烯基]-2,4(1H,3H)-嘧啶二酮 |
英文别名 | 更多 |
密度 | 1.881g/cm3 |
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熔点 | 189-194ºC (dec.)(lit.) |
分子式 | C6H5BrN2O2 |
分子量 | 217.02000 |
精确质量 | 215.95300 |
PSA | 65.72000 |
LogP | 0.42880 |
折射率 | 1.685 |
分子结构 | 1、 摩尔折射率:43.84 2、 摩尔体积(cm3/mol):115.3 3、 等张比容(90.2K):331.8 4、 表面张力(dyne/cm):68.4 5、 极化率:17.38 6、 介电常数:未确定 |
计算化学 | 1、 疏水参数计算参考值(XlogP):0.1 2、 氢键供体数量:2 3、 氢键受体数量:2 4、 可旋转化学键数量:1 5、 互变异构体数量:6 6、 拓扑分子极性表面积(TPSA):58.2 7、 重原子数量:11 8、 表面电荷:0 9、 复杂度:257 10、同位素原子数量:0 11、确定原子立构中心数量:0 12、不确定原子立构中心数量:0 13、确定化学键立构中心数量:1 14、不确定化学键立构中心数量:0 15、共价键单元数量:1 |
(E)-5-(2-溴乙烯基)-2-脱氧尿苷毒理学数据: 1、急性毒性:大鼠经口LD50: > 2mg/kg ; 2、致突变性:姐妹染色单体交换实验:人类淋巴细胞,200mg/L; |
个人防护装备 | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
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危险品运输编码 | NONH for all modes of transport |
RTECS号 | UV9020500 |
~86% (E)-5-(2-溴乙烯基)-... 69304-49-0 |
文献:Rega Instituut VZW; University of Birmingham Patent: US4424211 A1, 1984 ; |
~82% (E)-5-(2-溴乙烯基)-... 69304-49-0 |
文献:Eger; Jalalian; Schmidt Journal of Heterocyclic Chemistry, 1995 , vol. 32, # 1 p. 211 - 218 |
~% (E)-5-(2-溴乙烯基)-... 69304-49-0 |
文献:Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , p. 1665 - 1670 |
(E)-5-(2-溴乙烯基)-2-脱氧尿苷上游产品 3 | |
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(E)-5-(2-溴乙烯基)-2-脱氧尿苷下游产品 4 | |
Biochemical modulation of the catabolism and tissue uptake of the anticancer drug 5-fluorouracil by 5-bromovinyluracil: assessment with metabolic (19)F MR imaging.
Magn. Reson. Med. 42(5) , 936-43, (1999) Using chemical shift-selective (19)F magnetic resonance (MR) imaging, we investigated the biomodulating action of 5-bromovinyluracil (BVU) on the degradation of the anticancer drug 5-fluorouracil (5-F... |
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Deoxyribosyl exchange reactions leading to the in vivo generation and regeneration of the antiviral agents (E)-5-(2-bromovinyl)-2'-deoxyuridine, 5-ethyl-2'-deoxyuridine and 5-(2-chloroethyl)-2'-deoxyuridine.
Biochem. Pharmacol. 35(10) , 1647-53, (1986) In the rat, the highly potent anti-herpes drug (E)-5-(2-bromovinyl)-2'-deoxyuridine (BVdUrd) is rapidly converted to its base (E)-5-(2-bromovinyl)uracil (BVUra) through the action of pyrimidine nucleo... |
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Synthesis and antiviral activity of (E)-5-(2-bromovinyl)uracil and (E)-5-(2-bromovinyl)uridine.
J. Med. Chem. 29 , 213, (1986) (E)-5-(2-Bromovinyl)uracil (BVU) and (E)-5-(2-bromovinyl)uridine (BVRU) were synthesized starting from 5-formyluracil via (E)-5-(2-carboxyvinyl)uracil or starting from 5-iodouridine via (E)-5-(2-carbo... |
BV uracil |
5-bromovinyluracil |
Bromovinyluracil |
MFCD00132885 |