3-[bis(2-carboxyethyl)phosphanyl]propanoic acid hydrochloride

• ChemBase编号: 144570
• 分子式: C9H16ClO6P
• 平均质量: 286.646501
• 单一同位素质量: 286.03730254
• SMILES: C(CP(CCC(=O)O)CCC(=O)O)C(=O)O.Cl
• Canonical SMILES: OC(=O)CCP(CCC(=O)O)CCC(=O)O.Cl
• InChI: InChI=1S/C9H15O6P.ClH/c10-7(11)1-4-16(5-2-8(12)13)6-3-9(14)15;/h1-6H2,(H,10,11)(H,12,13)(H,14,15);1H
• InChIKey: PBVAJRFEEOIAGW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-[bis(2-carboxyethyl)phosphanyl]propanoic acid hydrochloride
• IUPAC传统名: tris(2-carboxyethyl)phosphine hydrochloride
• 别名: 三(2-羧乙基)膦 盐酸盐; 三(2-甲酰乙基)膦盐酸盐; 三(2-羧乙基)膦 盐酸盐 溶液; TCEP; Tris(2-carboxyethyl)phosphine hydrochloride; 3,3',3''-Phosphinidynetrispropanoic Acid Hydrochloride; Tris(2-carboxyethyl)phosphine Hydrochloride; Tris(carboxyethyl)phosphine Hydrochloride; TCEP Hydrochloride; Tris(2-carboxyethyl)phosphine hydrochloride solution

登记号

• CAS号: 51805-45-9
• MDL号: MFCD00145469
• Beilstein号: 3724376
• 默克索引号: 149085
• PubChem SID: 24883469; 24892716; 24889823; 162238782
• PubChem CID: 2734570

理论计算性质

• Acid pKa: 3.2212362
• 质子受体: 6
• 质子供体: 3
• LogD (pH = 5.5): -6.017164
• LogD (pH = 7.4): -10.102781
• Log P: -1.2397103
• 摩尔折射率: 59.157 cm^3
• 极化性: 21.855902 Å^3
• 极化表面积: 111.9 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: soluble1 M, clear, colorless (no residue); H2O: soluble50 mg/mL; Methanol; Soluble in water; Water
• 外观: Crystalline powder; white powder; White Solid
• 熔点: 169-172°C; 177-178°C
• 密度: 1.041 g/mL at 25 °C
• 折射率: n20/D 1.367
• 紫外吸收波长: λ: 260 nm Amax: 0.05; λ: 280 nm Amax: 0.03
• pH值: 1.2-1.5; 7.0

安全信息

• 保存条件: -20°C Freezer, Under Inert Atmosphere
• 保存注意事项: Moisture Sensitive
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 3261; UN3261
• 德国WGK号: 2
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2; II
• 危险公开号: 34; 36
• 安全公开号: 26; 26-27-36/37/39; 26-36/37/39-45
• TSCA收录: 否
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Danger; Warning
• GHS危险声明: H314; H314-H318; H315-H319
• GHS警示性声明: P280-P305 + P351 + P338-P310; P280-P305+P351+P338-P308+P313; P305 + P351 + P338
• 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; Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3261 8/PG 2
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98%; ≥98% (NMR); ≥98.0% (C); 98%
• 浓度: 0.5 M
• 级别: purum
• 杂质: ≤0.5% water
• 痕量阳离子: Al: ≤5 mg/kg; As: ≤0.05 mg/kg; Ba: ≤5 mg/kg; Bi: ≤5 mg/kg; Ca: ≤10 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; K: ≤50 mg/kg; Li: ≤5 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; Na: ≤50 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Sr: ≤5 mg/kg; Zn: ≤5 mg/kg
• 痕量阴离子: sulfate (SO42-): ≤50 mg/kg
• 干燥失重: ≤1.0% loss on drying
• λ: 0.1 M in H2O
• 产品线: BioUltra
• Empirical Formula (Hill Notation): C9H15O6P · HCl

详细说明

Sigma Aldrich - 646547

包装
1, 10×1 mL in ampule
Application
TCEP is an effective reducing agent for protein analysis. As a non-mercaptan reducing agent, it avoids the toxicity inherent in thiol-containing compounds. It is capable of disrupting the botulinum neurotoxin B heavy-chain/light-chain complex that is held together by a single disulfide bond, and that is responsible for endocytosis, and ultimately the toxicity, of the toxin. Since disulfide-coupled subunits are characteristic of many toxins (e.g., ricin, snake venom, and all BoNT serotypes), it may be useful as a rescue prophylactic in cases of toxin administration.1

Sigma Aldrich - 75259

Application
水溶性试剂，用于二硫化物的选择性还原。1在质谱应用中比 DTT 更稳定。

Sigma Aldrich - C4706

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Application
水溶性试剂，用于二硫化物的选择性还原。在质谱应用中比 DTT 更稳定。
用于在水中进行的二硫化物选择性还原。1
碱化后，该水溶性配体可通过水性洗涤反应粗产物实现钌系复分解催化剂的简单去除。
包装
2, 10 g in glass bottle

Sigma Aldrich - 93284

Application
水溶性试剂，用于二硫化物的选择性还原。1在质谱应用中比 DTT 更稳定。

Toronto Research Chemicals - T012500

Biochemical tool for selective reduction of disulfide bridges at low pH; reductant for redox assay.

参考文献

• Neuburger, M., et al.: Eur. J. Biochem., 267, 2882 (2000)
• Krijt, J., et al.: Clin. Chem., 47, 1821 (2000)
• Yen, T.-Y., et al.: J. Mass Spectrom., 37, 15 (2000)