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MFCD00133864 分子结构
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(2S,3R,4S,5S,6R)-4-amino-2-{[(1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-6-(hydroxymethyl)oxane-3,5-diol; sulfuric acid

ChemBase编号:132748
分子式:C18H39N5O13S
平均质量:565.59296
单一同位素质量:565.22650733
SMILES和InChIs

SMILES:
C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)N)O)O)O[C@@H]1[C@@H](C[C@@H]([C@H](O1)CN)O)N)N.OS(=O)(=O)O
Canonical SMILES:
OS(=O)(=O)O.NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@H]([C@@H]([C@H]2O)O[C@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)N)O)N)[C@@H](C[C@@H]1O)N
InChI:
InChI=1S/C18H37N5O9.H2O4S/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18;1-5(2,3)4/h5-18,24-28H,1-4,19-23H2;(H2,1,2,3,4)/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+;/m0./s1
InChIKey:
ZEUUPKVZFKBXPW-TWDWGCDDSA-N

引用这个纪录

CBID:132748 http://www.chembase.cn/molecule-132748.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,3R,4S,5S,6R)-4-amino-2-{[(1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-6-(hydroxymethyl)oxane-3,5-diol; sulfuric acid
IUPAC传统名
sulfuric acid; tobramycin
别名
Tobramycin sulfate salt 硫酸盐
Tobramycin sulfate salt
MDL号
MFCD00133864
PubChem SID
162227025
PubChem CID
62005

数据来源

数据来源

所有数据来源 商品来源 非商品来源
数据来源 数据ID
Sigma Aldrich T1783 external link 加入购物车
PubChem 62005 external link
数据来源 数据ID 价格
Sigma Aldrich
T1783 external link 加入购物车 请登录
数据来源 数据ID
PubChem 62005 external link

理论计算性质

理论计算性质

JChem
Acid pKa 12.542545  质子受体 14 
质子供体 10  LogD (pH = 5.5) -20.344318 
LogD (pH = 7.4) -13.627587  Log P -6.4775004 
摩尔折射率 106.6949 cm3 极化性 45.42405 Å3
极化表面积 268.17 Å2 可自由旋转的化学键
里宾斯基五规则 false 

分子性质

分子性质

安全信息 生物活性(PubChem)
欧盟危险性物质标志
有毒(Toxic) 有毒(Toxic) (T) expand 查看数据来源
德国WGK号
3 expand 查看数据来源
危险公开号
61-20/21/22 expand 查看数据来源
安全公开号
53-22-36/37/39-45 expand 查看数据来源
GHS危险品标识
GHS07 expand 查看数据来源
GHS08 expand 查看数据来源
GHS警示词
Danger expand 查看数据来源
GHS危险声明
H312-H332-H360 expand 查看数据来源
GHS警示性声明
P201-P280-P308 + P313 expand 查看数据来源
个人保护装置
Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand 查看数据来源
保存温度
2-8°C expand 查看数据来源

详细说明

详细说明

Sigma Aldrich Sigma Aldrich
Sigma Aldrich -  T1783 external link
Biochem/physiol Actions
Tobramycin sulfate is an aminoglycoside. Mode of Action: Binds to 70S ribosomal subunit; inhibits translocation; elicits miscoding. Spectrum of Activity: Gram negative bacteria. Not effective against Enterococci.
Tobramycin binds irreversibly to one of two aminoglycoside binding sites on the 30 S ribosomal subunit, inhibiting bacterial protein synthesis. Tobramycin may also destabilize bacterial membranes by binding to 16 S r-RNA. It inhibits translocation and elicits miscoding. Tobramycin binds to an RNA aptamer, which is structurally similar to the A site of 16S rRNA2.
Application
Tobramycin is an aminoglycoside, broad-spectrum antibiotic produced by Streptomyces tenebrarius. It is effective against gram-negative bacteria, especially the pseudomonas species. It is not effective against Enterococci. It is used to inhibit bacterial protein synthesis at the level of 30S (16S rRNA) and 70S ribosomal complex assembly. It is used to treat pseudomonas aeruginosa lung infections and is used in combination with other antibiotics to treat urinary tract infections, gynecologic infections, peritonitis, endocarditis, pneumonia, sepsis, respiratory infections, osteomyelitis and other soft-tissue infections. It is a potential therapy for sinus infections1. Product T1783 has been used to study antibiotic resistance2.

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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