2,5-dioxopyrrolidin-1-yl 3-({3-[(2,5-dioxopyrrolidin-1-yl)oxy]-3-oxopropyl}disulfanyl)propanoate

• ChemBase编号: 107296
• 分子式: C14H16N2O8S2
• 平均质量: 404.41544
• 单一同位素质量: 404.03480748
• SMILES: O=C(CCSSCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O
• Canonical SMILES: O=C(ON1C(=O)CCC1=O)CCSSCCC(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C14H16N2O8S2/c17-9-1-2-10(18)15(9)23-13(21)5-7-25-26-8-6-14(22)24-16-11(19)3-4-12(16)20/h1-8H2
• InChIKey: FXYPGCIGRDZWNR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,5-dioxopyrrolidin-1-yl 3-({3-[(2,5-dioxopyrrolidin-1-yl)oxy]-3-oxopropyl}disulfanyl)propanoate
• IUPAC传统名: 2,5-dioxopyrrolidin-1-yl 3-({3-[(2,5-dioxopyrrolidin-1-yl)oxy]-3-oxopropyl}disulfanyl)propanoate
• 别名: DITHIOBIS(SUCCINIMIDYLPROPIONATE); Di(N-succinimidyl) 3,3′-dithiodipropionate; Dithiobis(succinimidyl propionate); Lomant’s reagent; 3,3′-Dithiodipropionic acid di(N-hydroxysuccinimide ester); DTSP

登记号

• CAS号: 57757-57-0
• EC号: 260-931-5
• MDL号: MFCD00042045
• Beilstein号: 1518074
• PubChem SID: 24893777; 162094528
• PubChem CID: 93313

理论计算性质

• Acid pKa: 17.407946
• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): -0.53222996
• LogD (pH = 7.4): -0.53222996
• Log P: -0.53222996
• 摩尔折射率: 89.7672 cm^3
• 极化性: 35.692596 Å^3
• 极化表面积: 127.36 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: acetone: soluble; chloroform: soluble50 mg/mL; DMF: soluble
• 外观: powder
• 熔点: 128-133 °C

安全信息

• 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: 26-36
• 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
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: -20°C; 2-8°C

产品相关信息

• 纯度: ≥97.0% (HPLC)
• Empirical Formula (Hill Notation): C14H16N2O8S2

详细说明

MP Biomedicals - 05203265

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D3669

Application
Homobifunctional cross-linking reagent containing a cleavable disulfide linkage. Typically coupled to molecules containing primary amines by amide bonds buffered at pH 7.5 (6.5-8.5).
Caution
Avoid use of reducing agents during coupling reactions.
Features and Benefits
The disulfide linkage is cleavable by mild reduction.

Sigma Aldrich - 43789

Other Notes
Cleavable cross-linking reagent 1,2,3