2,5-dioxopyrrolidin-1-yl 6-(2-iodoacetamido)hexanoate

• ChemBase编号: 131019
• 分子式: C12H17IN2O5
• 平均质量: 396.17825
• 单一同位素质量: 396.01821965
• SMILES: C1CC(=O)N(C1=O)OC(=O)CCCCCNC(=O)CI
• Canonical SMILES: ICC(=O)NCCCCCC(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C12H17IN2O5/c13-8-9(16)14-7-3-1-2-4-12(19)20-15-10(17)5-6-11(15)18/h1-8H2,(H,14,16)
• InChIKey: GRNALJOZUYFKSS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,5-dioxopyrrolidin-1-yl 6-(2-iodoacetamido)hexanoate
• IUPAC传统名: 2,5-dioxopyrrolidin-1-yl 6-(2-iodoacetamido)hexanoate
• 别名: 6-(Iodoacetamido)hexanoic acid N-hydroxysuccinimide ester

登记号

• CAS号: 134759-23-2
• MDL号: MFCD00132999
• PubChem SID: 162225297
• PubChem CID: 4378573

理论计算性质

• 极化性: 30.758177 Å^3
• 极化表面积: 92.78 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true
• Acid pKa: 12.844985
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 0.40132856
• LogD (pH = 7.4): 0.4013272
• Log P: 0.40132856
• 摩尔折射率: 77.7412 cm^3

分子性质

理化性质

• 溶解度: DMF: soluble; methanol: soluble50 mg/mL

安全信息

• 德国WGK号: 3
• 保存温度: -20°C

详细说明

Sigma Aldrich - I1007

Application
A heterobifunctional cross-linking reagent containing an extended spacer with amine and sulfhydryl reactivity. Typically, coupled initially to molecules containing primary amines by amide bonds buffered at pH 7.5 (6.5-8.5) Second coupling specific for molecules containing free sulfhydryl by thioether linkage buffered at pH 7.5 (7.0-8.0). Useful for preparation of enzyme immunoconjugates and hapten carrier molecule conjugates. Provides a 9-atom linker.
Caution
The iodoacetyl group is light sensitive.