5-溴尿嘧啶 | 51-20-7
中文名称:
5-溴尿嘧啶
英文名称:
5-Bromouracil
CAS No.:
51-20-7
分子式:
C4 H3 BrN2 O2
分子量:
190.9828
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:5-溴尿嘧啶结构式
名称和标识符
MDL
MFCD00006017
InChIKey
LQLQRFGHAALLLE-UHFFFAOYSA-N
Inchi
1S/C4H3BrN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
SMILES
BrC1=C([H])N([H])C(N([H])C1=O)=O
BRN
127176
别名信息
- 中文别名 -
5-溴尿嘧啶
5-Bromouracil 5-溴尿嘧啶
5-Bromouracil 5-溴尿嘧啶 BR
5-碘脲嘧啶
5-溴代嘧啶
5'-溴尿嘧啶
5-溴脲嘧啶
2,4-二羟基-5-溴嘧啶
5-溴-2,4(1H,3H)嘧啶二酮
5-溴-2,4-二羟基嘧啶
5-溴代嘧啶,5-溴-2,4(1H,3H)嘧啶二酮
- 英文别名 -
5-Bromouracil
5-Bromo-2,4(1H,3H)-pyrimidinedione
5-bromopyrimidine-2,4(1H,3H)-dione
5-Bromopyrimidine-2,4-diol
5-BROMO-1H-PYRIMIDINE-2,4-DIONE
BROMOURACIL, 5-(RG)
5-BroMo-2,4(1H,3H)-pyriMidinedione
5-bromo-2,4-dioxopyrimidine
5-bromo-uraci
5-bromo-uracil
5-BrUra
5-Br-uracil
Bromouracil
BROMOURACIL,5
Uracil,5-bromo
Uracil, 5-bromo-
5-Bromo-2,4-dihydroxypyrimidine
2,4(1H,3H)-Pyrimidinedione, 5-bromo-
5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione
C4H3BrN2O2
4HK400G5UO
LQLQRFGHAALLLE-UHFFFAOYSA-N
1,2,3,4-tetrahydro-5-bromo-2,4-pyrimidinedione
5-Bromoura
UNII-4HK400G5UO
HSDB 7495
AM83917
Z275128628
BBL013052
BP-12090
F3096-1702
CCG-46723
AB00570
STK301806
AB00570
AI3-25471
STK301806
CHEMBL144730
AI3-25471
SCHEMBL8740942
CHEMBL144730
FT-0602493
SCHEMBL8740942
SCHEMBL29805
FT-0602493
Q238477
SCHEMBL29805
URB
BROMOURACIL
Q238477
Bromuracil
STL451516
URB
BROMOURACIL
Bromuracil
CHEBI:20552
STL451516
AC-3034
5-Bromo-2,4(1H,3H)-pyrimidinedione #
CHEBI:20552
InChI=1/C4H3BrN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9
AC-3034
5-Bromouracil, 98%
5-Bromo-2,4(1H,3H)-pyrimidinedione #
SR-01000636400-1
NSC19940
InChI=1/C4H3BrN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9
AKOS009097562
B-9200
5-Bromouracil, 98%
5-Bromo-1H-pyrimidine-2,4-dione
SR-01000636400-1
LS-158562
NSC19940
51-20-7
AKOS009097562
5-Brom-6-hydroxypyrimidinon
B-9200
5-BU
CS-W001982
AKOS001448866
B0665
5-Bromo-1H-pyrimidine-2,4-dione
DTXSID2058758
LS-158562
AC-907/25014019
51-20-7
5-bromopyrimidine-2,4-diol
5-Brom-6-hydroxypyrimidinon
2,3H)-Pyrimidinedione, 5-bromo-
5-BU
SY003631
CS-W001982
Bromhydroxypyrimidinon
AKOS001448866
MFCD00006017
B0665
CS-O-01027
DTXSID2058758
NSC 19940
AC-907/25014019
5-BROMOURACIL [MI]
5-bromopyrimidine-2,4-diol
2,4-Pyrimidinedione, 1,2,3,4-tetrahydro-5-bromo
2,3H)-Pyrimidinedione, 5-bromo-
EINECS 200-084-0
SY003631
Uracil, 5-bromo- (VAN)
Bromhydroxypyrimidinon
EU-0035288
MFCD00006017
NSC-19940
STR01501
CS-O-01027
EN300-51230
NSC 19940
HY-W001982
Epitope ID:138109
5-BROMOURACIL [MI]
5-BrU
2,4-Pyrimidinedione, 1,2,3,4-tetrahydro-5-bromo
EINECS 200-084-0
Uracil, 5-bromo- (VAN)
EU-0035288
NSC-19940
STR01501
EN300-51230
HY-W001982
Epitope ID:138109
5-BrU
NS00032236
5-Bromouracil (5-Bromo-2,4-dihydroxypyrimidine)
5-Bromouracil,99%
物化性质
实验特性
LogP
-0.17430
PSA
65.72000
Merck
14,1440
折射率
1.59
水溶性
SOLUBLE IN COLD WATER
沸点
384°C
熔点
>300?°C(lit.)
溶解度
<1g/l
颜色与性状
白色粉末
溶解性
微溶于水。
密度
1.965 g/cm3
计算特性
精确分子量
189.93800
氢键供体数量
2
氢键受体数量
2
可旋转化学键数量
0
同位素质量
189.93779g/mol
重原子数量
9
复杂度
199
同位素原子数量
0
确定原子立构中心数量
0
不确定原子立构中心数量
0
确定化学键立构中心数量
0
不确定化学键立构中心数量
0
共价键单元数量
1
疏水参数计算参考值(XlogP)
-0.2
互变异构体数量
9
表面电荷
0
拓扑分子极性表面积
58.2
海关数据
海关编码
29335995
海关数据
中国海关编码:
2933599090
概述:
2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
Summary:
2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
生产方法和用途
方法
HPLC,NMR
将L-丙氨酸悬浮于二氧六环溶液中,与叔丁氧羰基叠氮进行酰化反应得粗产品,再经重结晶精制而得。
用途
用于多肽合成,用作氨基酸保护单体。
有突变活性,可插进DNA,抑制二氢脲嘧啶脱氢酶。
相关文献
1.
Negative ion states of 5-bromouracil and 5-iodouracil
F. Kossoski,M. T. do N. Varella Phys. Chem. Chem. Phys. 2015 17 17271
2.
The synthesis of 5-pyrimidinyl sulphides and disulphides
G. R. Barker,Nydia G. Luthy,M. M. Dhar J. Chem. Soc. 1954 4206
3.
A (6–4) photoproduct of 5-bromouracil
Martin D. Shetlar,Vladimir J. Basus Photochem. Photobiol. Sci. 2011 10 76
4.
Stacking of the mutagenic base analogue 5-bromouracil: energy landscapes of pyrimidine dimers in gas phase and water
Leo F. Holroyd,Tanja van Mourik Phys. Chem. Chem. Phys. 2015 17 30364
5.
Photoinduced electron transfer in 5-bromouracil labeled DNA. A contrathermodynamic mechanism revisited by electron transfer theories
Lorenzo Cupellini,Pawe? Wityk,Benedetta Mennucci,Janusz Rak Phys. Chem. Chem. Phys. 2019 21 4387
6.
Vacuum-UV induced DNA strand breaks – influence of the radiosensitizers 5-bromouracil and 8-bromoadenine
Stefanie Vogel,Kenny Ebel,Christian Heck,Robin M. Schürmann,Aleksandar R. Milosavljevi?,Alexandre Giuliani,Ilko Bald Phys. Chem. Chem. Phys. 2019 21 1972
7.
The evaluation of 5-amino- and 5-hydroxyuracil derivatives as potential quadruplex-forming agents
Gábor Paragi,Zoltán Kupihár,Gábor Endre,Célia Fonseca Guerra,Lajos Kovács Org. Biomol. Chem. 2017 15 2174
8.
The evaluation of 5-amino- and 5-hydroxyuracil derivatives as potential quadruplex-forming agents
Gábor Paragi,Zoltán Kupihár,Gábor Endre,Célia Fonseca Guerra,Lajos Kovács Org. Biomol. Chem. 2017 15 2174
9.
Developing a computational model that accurately reproduces the structural features of a dinucleoside monophosphate unit within B-DNA
Cassandra D. M. Churchill,Stacey D. Wetmore Phys. Chem. Chem. Phys. 2011 13 16373
10.
Synthesis of derivatives of thiazolo[4,5-d]pyrimidine. Part II
J. A. Baker,P. V. Chatfield J. Chem. Soc. C 1970 2478
参考资料
Reaxys RN
127176
Beilstein
24,318
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