2,5-dioxopyrrolidin-1-yl 6-(6-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]pentanamido}hexanamido)hexanoate

• ChemBase编号: 134155
• 分子式: C26H41N5O7S
• 平均质量: 567.69804
• 单一同位素质量: 567.27266968
• SMILES: C1CC(=O)N(C1=O)OC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2
• Canonical SMILES: O=C(NCCCCCC(=O)ON1C(=O)CCC1=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2
• InChI: InChI=1S/C26H41N5O7S/c32-20(27-16-8-2-4-12-24(36)38-31-22(34)13-14-23(31)35)10-3-1-7-15-28-21(33)11-6-5-9-19-25-18(17-39-19)29-26(37)30-25/h18-19,25H,1-17H2,(H,27,32)(H,28,33)(H2,29,30,37)/t18-,19-,25-/m0/s1
• InChIKey: ATYCFNRXENKXSE-MHPIHPPYSA-N

名称和登记号

名称

• IUPAC标准名: 2,5-dioxopyrrolidin-1-yl 6-(6-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]pentanamido}hexanamido)hexanoate
• IUPAC传统名: 2,5-dioxopyrrolidin-1-yl 6-(6-{5-[(3aS,4S,6aR)-2-oxo-hexahydrothieno[3,4-d]imidazolidin-4-yl]pentanamido}hexanamido)hexanoate
• 别名: 6-(Biotinamidocaproylamido)caproic acid N-hydroxysuccinimide ester; Biotin-X-X-NHS; N-Succinimidyl N-[6-(biotinylamino)caproyl]-6-aminocaproate; Biotinamidohexanoyl-6-aminohexanoic acid N-hydroxysuccinimide ester; N-Biotinylcaproylaminocaproyl N-Hydroxysuccinimide6-(biotinamidecaproylamide)caproic acid N-succinimide ester6-{6-[5-(2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-hexanoylamino}-hexanoic acid 2,5-dioxo-pyrrolidin-1-yl ester; Succinimidyl-6-[6-(biotinamido)caproyl]caproylate

登记号

• CAS号: 89889-52-1
• MDL号: MFCD00467154
• Beilstein号: 8377428
• PubChem SID: 162228432; 24891708
• PubChem CID: 16219024

理论计算性质

• Acid pKa: 13.486875
• 质子受体: 6
• 质子供体: 4
• LogD (pH = 5.5): 0.30806187
• LogD (pH = 7.4): 0.30806476
• Log P: 0.3080651
• 摩尔折射率: 143.5245 cm^3
• 极化性: 56.47013 Å^3
• 极化表面积: 163.01 Å^2
• 可自由旋转的化学键: 19
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: DMF; DMF: soluble25 mg/mL; DMSO; NMP
• 外观: powder; White Solid
• 熔点: 147-151°C

安全信息

• 保存条件: -20°C Freezer, Under Inert Atmosphere
• 保存注意事项: Moisture Sensitive
• 德国WGK号: 3
• 保存温度: -20°C

产品相关信息

• 纯度: ≥95% (TLC)

详细说明

Sigma Aldrich - B3295

Application
Biotinylation reagent incorporating an extended 14-atom spacer can reduce steric hindrance in binding avidin or streptavidin to some biotinylated compounds and increase sensitivity for detection. Typically coupled to primary amine in the pH range 6.5-8.5.

Toronto Research Chemicals - S690255

A biotinylated cross-linking reagent.