(2S,3S,6R)-6-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-[(3R)-3-amino-5-(1-methylcarbamimidamido)pentanamido]-3,6-dihydro-2H-pyran-2-carboxylic acid hydrochloride

• ChemBase编号: 155863
• 分子式: C17H27ClN8O5
• 平均质量: 458.89988
• 单一同位素质量: 458.17929368
• SMILES: CN(CC[C@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)n1ccc(nc1=O)N)N)C(=N)N.Cl
• Canonical SMILES: N[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)n1ccc(nc1=O)N)CCN(C(=N)N)C.Cl
• InChI: InChI=1S/C17H26N8O5.ClH/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29;/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29);1H/t9-,10+,13-,14+;/m1./s1
• InChIKey: YQXYQOXRCNEATG-ZAYJLJTISA-N

名称和登记号

名称

• IUPAC标准名: (2S,3S,6R)-6-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-[(3R)-3-amino-5-(1-methylcarbamimidamido)pentanamido]-3,6-dihydro-2H-pyran-2-carboxylic acid hydrochloride
• IUPAC传统名: (2S,3S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-3-[(3R)-3-amino-5-(1-methylcarbamimidamido)pentanamido]-3,6-dihydro-2H-pyran-2-carboxylic acid hydrochloride
• 别名: Blasticidin S; Blasticidine S hydrochloride

登记号

• CAS号: 3513-03-9
• MDL号: MFCD02091640
• PubChem SID: 162250001; 24849193
• PubChem CID: 25078183

理论计算性质

• Acid pKa: 3.32019
• 质子受体: 11
• 质子供体: 6
• LogD (pH = 5.5): -7.4451337
• LogD (pH = 7.4): -5.8880167
• Log P: -4.7077003
• 摩尔折射率: 116.4234 cm^3
• 极化性: 40.315628 Å^3
• 极化表面积: 213.45 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Do you have solubility information on this product that you would like to share?

安全信息

• 欧盟危险性物质标志: 剧毒(Highly toxic) (T+)
• 联合国危险货物编号: 2811
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 28
• 安全公开号: 28-36/37-45
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H300
• GHS警示性声明: P264-P301 + P310
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 2
• 保存温度: -20°C

产品相关信息

• 纯度: ≥98.0% (HPLC)
• 运输包装: dry ice
• Empirical Formula (Hill Notation): C17H26N8O5 · HCl

详细说明

Sigma Aldrich - 15205

Frequently Asked Questions
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Application
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Blasticidin S is used as a selection agent for transformed cells that contain the resistance genes bls, bsr, or BSD. Also used to study protein synthesis at the level of peptide bond formation.
Blasticidin S is used as a selection agent for transformed cells that contain the resistance genes bls, bsr, or BSD. Blasticidiin S has been used to select HEK293-T cells with TLR-2 constructs and HEK-D5 cells . It is also used to study protein synthesis at the level of peptide bond formation.
Protocols & Applications
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