bis(1-[(1S,2R,3R,4S,5R,6R)-3-carbamimidamido-6-{[(2R,3R,4R,5S)-3-{[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy}-2,4,5-trihydroxycyclohexyl]guanidine); tris(sulfuric acid)

• ChemBase编号: 73265
• 分子式: C42H84N14O36S3
• 平均质量: 1457.38356
• 单一同位素质量: 1456.43347808
• SMILES: S(=O)(=O)(O)O.S(=O)(=O)(O)O.S(=O)(=O)(O)O.[C@H]1([C@H]([C@@H]([C@H]([C@@H]([C@H]1NC(=N)N)O)NC(=N)N)O[C@H]1[C@H](O[C@@H]2O[C@H]([C@@H]([C@H]([C@@H]2NC)O)O)CO)[C@@]([C@@H](O1)C)(O)C=O)O)O.[C@H]1([C@H]([C@@H]([C@H]([C@@H]([C@H]1NC(=N)N)O)NC(=N)N)O[C@H]1[C@H](O[C@@H]2O[C@H]([C@@H]([C@H]([C@@H]2NC)O)O)CO)[C@@]([C@@H](O1)C)(O)C=O)O)O
• Canonical SMILES: OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H]([C@H]([C@@H]3NC(=N)N)O)NC(=N)N)O[C@H]([C@]2(O)C=O)C)[C@H]([C@@H]([C@H]1O)O)NC.OC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H]([C@H]([C@@H]3NC(=N)N)O)NC(=N)N)O[C@H]([C@]2(O)C=O)C)[C@H]([C@@H]([C@H]1O)O)NC
• InChI: InChI=1S/2C21H39N7O12.3H2O4S/c2*1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35;3*1-5(2,3)4/h2*4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28);3*(H2,1,2,3,4)/t2*5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+;;;/m00.../s1
• InChIKey: QTENRWWVYAAPBI-YCRXJPFRSA-N

名称和登记号

名称

• IUPAC标准名: bis(1-[(1S,2R,3R,4S,5R,6R)-3-carbamimidamido-6-{[(2R,3R,4R,5S)-3-{[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy}-2,4,5-trihydroxycyclohexyl]guanidine); tris(sulfuric acid)
• IUPAC传统名: bis(1-[(1S,2R,3R,4S,5R,6R)-3-carbamimidamido-6-{[(2R,3R,4R,5S)-3-{[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy}-2,4,5-trihydroxycyclohexyl]guanidine); tris(sulfuric acid)
• 别名: Streptomycin sulfate

登记号

• CAS号: 3810-74-0
• PubChem SID: 162038185
• PubChem CID: 19648

理论计算性质

• Acid pKa: 10.877018
• 质子受体: 19
• 质子供体: 14
• LogD (pH = 5.5): -13.912841
• LogD (pH = 7.4): -12.161263
• Log P: -7.651423
• 摩尔折射率: 149.4707 cm^3
• 极化性: 52.500404 Å^3
• 极化表面积: 331.43 Å^2
• 可自由旋转的化学键: 18
• 里宾斯基五规则: false

分子性质

安全信息

• 保存条件: -20°C

产品相关信息

• 成盐信息: sulfate

详细说明

Selleck Chemicals - S2572

Research Area: Infection
Biological Activity:
Streptomycin sulfate is a sulfate salt of streptomycin that is a protein synthesis inhibitor. Streptomycin is an antibiotic drug, the first of a class of drugs called aminoglycosides to be discovered, and was the first antibiotic remedy for tuberculosis. Streptomycin is derived from the actinobacterium Streptomyces griseus. Streptomycin is a bactericidal antibiotic. Streptomycin binds to the S12 Protein of the 30S subunit of the bacterial ribosome, interfering with the binding of formyl-methionyl-tRNA to the 30S subunit. This prevents initiation of protein synthesis and leads to death of microbial cells. Humans have structurally different ribosomes from bacteria, thereby allowing the selectivity of this antibiotic for bacteria. However at low concentrations Streptomycin only inhibits growth of the bacteria by inducing prokaryotic ribosomes to misread mRNA. Streptomycin inhibits both Gram-positive and Gram-negative bacteria, and is a useful broad spectrum antibiotic. [1][2]References on Streptomycin sulfate[1] http://en.wikipedia.org/wiki/Streptomycin, , [2] J Mol Biol., 2007 Dec 7, 374(4):1065-76

参考文献

• Sharma D et al. J Mol Biol. 2007 Dec 7; 374(4):1065-76.