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305-84-0 分子结构
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(2S)-2-(3-aminopropanamido)-3-(1H-imidazol-4-yl)propanoic acid

ChemBase编号:109748
分子式:C9H14N4O3
平均质量:226.23246
单一同位素质量:226.10659033
SMILES和InChIs

SMILES:
NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O
Canonical SMILES:
NCCC(=O)N[C@H](C(=O)O)Cc1nc[nH]c1
InChI:
InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1
InChIKey:
CQOVPNPJLQNMDC-ZETCQYMHSA-N

引用这个纪录

CBID:109748 http://www.chembase.cn/molecule-109748.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
(2S)-2-(3-aminopropanamido)-3-(1H-imidazol-4-yl)propanoic acid
IUPAC传统名
carnosine
别名
L-α-ALANYL-L-HISTIDINE
L-Carnosine
β-Alanyl-L-histidine
Carnosine
CAS号
305-84-0
EC号
206-169-9
MDL号
MFCD00005207
Beilstein号
87671
PubChem SID
162095547
24893178
PubChem CID
439224
CHEBI ID
57485
CHEMBL
242948
Chemspider ID
388363
KEGG ID
C00386
美国药典/FDA物质标识码
8HO6PVN24W
维基百科标题
Carnosine

数据来源

数据来源

所有数据来源 商品来源 非商品来源

理论计算性质

理论计算性质

JChem
Acid pKa 3.3612406  质子受体
质子供体 LogD (pH = 5.5) -4.928625 
LogD (pH = 7.4) -4.1909065  Log P -4.174497 
摩尔折射率 54.9962 cm3 极化性 21.548273 Å3
极化表面积 121.1 Å2 可自由旋转的化学键
里宾斯基五规则 true 

分子性质

分子性质

理化性质 安全信息 药理学性质 产品相关信息 生物活性(PubChem)
外观
crystalline expand 查看数据来源
Crystalline solid expand 查看数据来源
熔点
253 °C (dec.)(lit.) expand 查看数据来源
253 °C (decomposition) expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
德国WGK号
2 expand 查看数据来源
个人保护装置
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand 查看数据来源
保存温度
-20°C expand 查看数据来源
相关基因信息
human ... CA1(759), CA2(760) expand 查看数据来源
纯度
~99% expand 查看数据来源
质检报告
下载链接 expand 查看数据来源

详细说明

详细说明

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals -  05212418 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich -  C9625 external link
Amino Acid Sequence
Ala-His
包装
10 mg in poly bottle
5, 25, 100 g in poly bottle
Biochem/physiol Actions
L-Carosine is a dipeptide found at millimolar concentration in brain, muscle and the lens of the eye. In model systems it is a potent antioxidant that scavenges oxygen free radicals and transition metal ions. It blocks protein-protein and protein-DNA cross-links induced by hypochlorite anions and toxic aldehydes such as acetaldehyde, formaldehyde, and malondialdehyde, the primary product of lipid peroxidation. It also inhibits nonenzymatic protein glycation induced by aldose and ketose reducing sugars and inhibits the formation of toxic advanced glycation end products (AGE). These activities make it of interest in studies of aging, atherosclerosis, Alzheimer′s disease, and the secondary effects of diabetes.
Dipeptide with potent antioxidant and antiglycation activity; blocks nonenzymatic glycosylation and protein cross-linking induced by reactive aldehydes.
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. C9625.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

参考文献

参考文献

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专利

专利

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互联网资源

互联网资源

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