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Merck
CN

I2127

Sigma-Aldrich

Isocytosine

≥99%

别名:

2-Amino-4-hydroxypyrimidine, 2-Aminouracil

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关于此项目

经验公式(希尔记法):
C4H5N3O
化学文摘社编号:
分子量:
111.10
EC 号:
MDL编号:
UNSPSC代码:
41106305
PubChem化学物质编号:
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生物来源

synthetic (organic)

方案

≥99%

表单

powder

溶解性

acetic acid: 50 mg/mL, clear, colorless

SMILES字符串

NC1=NC=CC(=O)N1

InChI

1S/C4H5N3O/c5-4-6-2-1-3(8)7-4/h1-2H,(H3,5,6,7,8)

InChI key

XQCZBXHVTFVIFE-UHFFFAOYSA-N

应用

Isocytosine (2-aminouracil) is an isomer of cytosine used in physical chemical studies involving metal complex binding, hydrogen-bonding, and tautomerism and proton transfer effects in nucleobases.

象形图

Exclamation mark

警示用语:

Warning

危险声明

危险分类

Acute Tox. 4 Oral - Eye Irrit. 2

储存分类代码

11 - Combustible Solids

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

个人防护装备

dust mask type N95 (US), Eyeshields, Gloves

法规信息

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历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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T K Ha et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 57(1), 55-72 (2001-02-24)
Results of a search for correlations between typical group mode frequencies and conformation of -OH and =NH substituents is reported. The study is based on quantum chemical data (HF/6-31G (d, p) and MP2 (full)/6-31G (d, p) approximations) of 13 isomers
Stefan Geschwindner et al.
Journal of medicinal chemistry, 50(24), 5903-5911 (2007-11-08)
Fragment-based lead generation was applied to find novel small-molecule inhibitors of beta-secretase (BACE-1), a key target for the treatment of Alzheimer's disease. Fragment hits coming from a 1D NMR screen were characterized by BIAcore, and the most promising compounds were
Chandrika B-Rao et al.
Bioorganic & medicinal chemistry, 20(9), 2930-2939 (2012-04-10)
In recent years, xanthine oxidase has emerged as an important target not only for gout but also for cardiovascular and metabolic disorders involving hyperuricemia. Contrary to popular belief, recent clinical trials with uricosurics have demonstrated that enhanced excretion of uric
Deepali Gupta et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 11(22), 6643-6652 (2005-08-27)
Isocytosine (ICH; 1) exists in solution in an equilibrium of tautomers 1a and 1b with the N1 and N3 positions carrying the acidic proton, respectively. In the solid state, both tautomers coexist in a 1:1 ratio. As we show, the
Agota Aučynaitė et al.
Frontiers in microbiology, 9, 2375-2375 (2018-10-24)
Cytosine is one of the four letters of a standard genetic code, found both in DNA and in RNA. This heterocyclic base can be converted into uracil upon the action of the well-known cytosine deaminase. Isocytosine (2-aminouracil) is an isomer

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