disodium 1-({8-[(2,5-dioxo-3-sulfonatopyrrolidin-1-yl)oxy]-8-oxooctanoyl}oxy)-2,5-dioxopyrrolidine-3-sulfonate

• ChemBase编号: 133180
• 分子式: C16H18N2Na2O14S2
• 平均质量: 572.42866
• 单一同位素质量: 571.99948383
• SMILES: C1C(C(=O)N(C1=O)OC(=O)CCCCCCC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
• Canonical SMILES: O=C(ON1C(=O)CC(C1=O)S(=O)(=O)[O-])CCCCCCC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)[O-].[Na+].[Na+]
• InChI: InChI=1S/C16H20N2O14S2.2Na/c19-11-7-9(33(25,26)27)15(23)17(11)31-13(21)5-3-1-2-4-6-14(22)32-18-12(20)8-10(16(18)24)34(28,29)30;;/h9-10H,1-8H2,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2
• InChIKey: MGJYOHMBGJPESL-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: disodium 1-({8-[(2,5-dioxo-3-sulfonatopyrrolidin-1-yl)oxy]-8-oxooctanoyl}oxy)-2,5-dioxopyrrolidine-3-sulfonate
• IUPAC传统名: disodium 1-({8-[(2,5-dioxo-3-sulfonatopyrrolidin-1-yl)oxy]-8-oxooctanoyl}oxy)-2,5-dioxopyrrolidine-3-sulfonate
• 别名: BS3; Bis(sulfosuccinimidyl) suberate sodium salt; Suberic acid bis(3-sulfo-N-hydroxysuccinimide ester) sodium salt; 1,1'-[(1,8-Dioxo-1,8-octanediyl)bis(oxy)]bis[2,5-dioxo-3-pyrrolidinesulfonic Acid; Bis(sulfosuccinimidyl) Suberate, Sodium Salt; Suberate Bis(sulfosuccinimidyl) Sodium Salt (~85%)

登记号

• CAS号: 82436-77-9; 127634-19-9
• MDL号: MFCD00054982
• PubChem SID: 162227457
• PubChem CID: 6097991

理论计算性质

• Acid pKa: -1.6775275
• 质子受体: 12
• 质子供体: 0
• LogD (pH = 5.5): -6.0345874
• LogD (pH = 7.4): -6.0350165
• Log P: -1.2818122
• 摩尔折射率: 100.7648 cm^3
• 极化性: 42.755386 Å^3
• 极化表面积: 241.76 Å^2
• 可自由旋转的化学键: 13
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: DMF: soluble; H2O: soluble10 mg/mL; Water
• 外观: Off-White Solid; powder
• 熔点: 210°C dec.

安全信息

• 保存条件: -20°C Freezer
• 保存注意事项: Room Temperature
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 保存温度: -20°C

产品相关信息

• 纯度: ≥95% (H-NMR)
• 产品质量级别: PREMIUM

详细说明

Sigma Aldrich - S5799

Application
Water soluble, homobifunctional cross-linking reagent with amine reactivity. Typically coupled to molecules containing primary amines by amide bonds buffered at pH 7.5 (6.5-8.5). Useful for preparation of protein-protein, receptor-ligand and hapten carrier molecule conjugates. Incorporates 8-atom linker.

Toronto Research Chemicals - S777500

A water-soluble protein cross-linker for: cross-linking and targeting of mouse erythrocytes, receptor-ligand cross-linking, cross-linking of calveolin proteins, cross-linking of growth factors to proteinase inhibitor, and cross-linking of glass beads to a

参考文献

• Wolf, B.B. and Gonias, S.L.: Biochemistry, 33, 11270 (1994)
• Terlecky, S.R., et al.: EMBO J., 14, 3627 (1994)
• Sargiacomo, M., et al.: Proc. Natl. Acad. Sci. USA, 92, 9407 (1994)
• Jordan, J.A., et al.: Biochim. Biophys. Acta, 1291, 27 (1996)