N-苯甲酰胞苷 | 13089-48-0
中文名称:
N-苯甲酰胞苷
英文名称:
N-{1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-1,2-dihydropyrimidin-4-yl}benzamide
CAS No.:
13089-48-0
分子式:
C1 6 H1 7 N3 O6
分子量:
347.3227
名称和标识符
MDL
MFCD01457402
InChIKey
BNXBRFDWSPXODM-UHFFFAOYSA-N
Inchi
1S/C16H17N3O6/c20-8-10-12(21)13(22)15(25-10)19-7-6-11(18-16(19)24)17-14(23)9-4-2-1-3-5-9/h1-7,10,12-13,15,20-22H,8H2,(H,17,18,23,24)
SMILES
O1C([H])(C([H])([H])O[H])C([H])(C([H])(C1([H])N1C(N=C(C([H])=C1[H])N([H])C(C1C([H])=C([H])C([H])=C([H])C=1[H])=O)=O)O[H])O[H]
别名信息
- 中文别名 -
N-苯甲酰胞苷
苯甲酰胞苷
N4-苯甲酰胞苷
【碱基保护核苷】N-苯甲酰胞苷
N4-Benzoylcytidine N4-苯甲酰胞苷
苯甲酰胞嘧啶核苷
多粘菌素E甲磺酸钠
5-溴-1-茚酮
N4-苯-胞苷
N4-苯甲酰基胞苷
N6-苯甲酰胞嘧啶核苷
N4-苯甲酰基-D-胞苷
N4-BENZOYLCYTIDINE 苯甲酰胞苷
N4-苯甲酰胞苷, 一种对 HIV-1 病毒有效的逆转录酶抑制剂
- 英文别名 -
N-(1-(3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)benzamide
N-benzoyl cytidine
N4-Benzoylcytidine
N4-Benzoyl-D-cytidine
4N-Benzoyl Cytidine
5-BroMo-1-indanone
Bz-rC
N(sup 4)benzoylcytidine
N[4]-Benzoylcytidine
N4-Bz-rC
N6-Benzoyl
N-[1-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
N4-Bz-Cr
NSC 242979
Cytidine, N-benzoyl-
N-BENZOYLCYTIDINE
N-{1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxohydropyrimidin-4-yl}ben zamide
N4-Benzoylcytidine
N-(1-(3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)benzamide
NSC242979
TimTec1_004198
HMS1545O18
N4-BENZOYLCYTIDINE
N4-BENZOYL-D-CYTIDINE
N-{1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-1,2-dihydropyrimidin-4-yl}benzamide
MFCD00010572
AKOS015895282
F12710
J-700223
N-[1-[(2R,3R,4R,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
AMY3711
13089-48-0
N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
1018812-31-1
4-n-benzoyl cytidine
N-(1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)benzamide
AKOS015839054
BNXBRFDWSPXODM-BPGGGUHBSA-N
N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-pyrimidin-4-yl]benzamide
DTXSID201316254
SCHEMBL565904
N-benzoylcytidine
N4-Benzoylcytidine, 99%
CS-0008585
CS-15645
N4-Benzoyl-L-cytidine
物化性质
实验特性
LogP
-0.81990
PSA
133.91000
折射率
46 ° (C=1, DMSO)
熔点
240°C(dec.)(lit.)
溶解度
Soluble in 1N NaOH at 10mg/ml. Also soluble in methanol or DMSO
颜色与性状
Powder
溶解性
未确定
光学活性
[α]27/D +55°, c = 0.1 in methanol
密度
1.5900
计算特性
精确分子量
347.11200
氢键供体数量
4
氢键受体数量
6
可旋转化学键数量
4
同位素质量
347.112
重原子数量
25
复杂度
586
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
4
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)
0.3
互变异构体数量
4
表面电荷
0
拓扑分子极性表面积
132
海关数据
海关编码
2934999090
海关数据
中国海关编码:
2934999090
概述:
2934999090. 其他杂环化合物. 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
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
相关文献
1.
Partial protection of carbohydrate derivatives. Part 1. Specific N-debenzoylation of fully benzoylated adenosine and cytidine with phenols and alcohols; active N-benzoyl groups
Yoshiharu Ishido,Nobuo Nakazaki,Nobuo Sakairi J. Chem. Soc. Perkin Trans. 1 1977 657
2.
Some observations relating to the use of 1-aryl-4-alkoxypiperidin-4-yl groups for the protection of the 2′-hydroxy functions in the chemical synthesis of oligoribonucleotides
Wayne Lloyd,Colin B. Reese,Quanlai Song,Anthony M. Vandersteen,Cristina Visintin,Pei-Zhou Zhang J. Chem. Soc. Perkin Trans. 1 2000 165
3.
Synthesis and DNA cleavage of 2′-O-amino-linked metalloporphyrin–oligonucleotide conjugates
Igor Dubey,Geneviève Pratviel,Bernard Meunier J. Chem. Soc. Perkin Trans. 1 2000 3088
4.
The synthesis of oligoribonucleotides. Part XI. Preparation of ribonucleoside 2′-acetal 3′-esters by selective deacylation
Colin B. Reese,J. Charles M. Stewart,Jacques H. van Boom,Harry P. M. de Leeuw,Joek Nagel,Jan F. M. de Rooy J. Chem. Soc. Perkin Trans. 1 1975 934
5.
Solution phase synthesis of ISIS 2922 (Vitravene) by the modified H-phosphonate approach
Colin B. Reese,Hongbin Yan J. Chem. Soc. Perkin Trans. 1 2002 2619
6.
One-step synthesis of 5′-azido-nucleosides
Isamu Yamamoto,Mitsuo Sekine,Tsujiaki Hata J. Chem. Soc. Perkin Trans. 1 1980 306
7.
The aqueous N-phosphorylation and N-thiophosphorylation of aminonucleosides
Louis P. Conway,Richard J. Delley,Jonathan Neville,Gemma R. Freeman,Hannah J. Maple,Vincent Chan,Alexander J. Hall,David R. W. Hodgson RSC Adv. 2014 4 38663
8.
The aqueous N-phosphorylation and N-thiophosphorylation of aminonucleosides
Louis P. Conway,Richard J. Delley,Jonathan Neville,Gemma R. Freeman,Hannah J. Maple,Vincent Chan,Alexander J. Hall,David R. W. Hodgson RSC Adv. 2014 4 38663
9.
Chemistry and stereochemistry of internucleotide bond formation by the H-phosphonate method
Michal Sobkowski New J. Chem. 2010 34 854
10.
Efficient and flexible access to fully protected trinucleotides suitable for DNA synthesis by automated phosphoramidite chemistry
Andrea Zehl,Antje Starke,Dieter Cech,Thomas Hartsch,Rainer Merkl,Hans-Joachim Fritz Chem. Commun. 1996 2677
参考资料
Reaxys RN
628946
Beilstein
MFCD00010572
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