2-aminoethane-1-sulfonic acid

• ChemBase编号: 1723
• 分子式: C2H7NO3S
• 平均质量: 125.14688
• 单一同位素质量: 125.01466409
• SMILES: NCCS(=O)(=O)O
• Canonical SMILES: NCCS(=O)(=O)O
• InChI: InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)
• InChIKey: XOAAWQZATWQOTB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-aminoethane-1-sulfonic acid
• IUPAC传统名: taurine; 2-aminoethanesulfonic acid
• 别名: 2-氨基乙磺酸; 牛磺酸; Additive Screening Solution 39/Fluka kit no 78374; Taurine solution; Taurine 0.1 M solution; tauric acid; Taurine; 2-Aminoethanesulfonic Acid; 2-Aminoethanesulfonic acid; Taurine; 1-Aminoethane-2-sulfonic Acid; 2-Aminoethylsulfonic Acid; 2-Sulfoethylamine; NSC 32428; O-Due; Taufon; Taukard; Tauphon; β-Aminoethylsulfonic Acid

登记号

• CAS号: 107-35-7
• EC号: 203-483-8
• MDL号: MFCD00008197
• Beilstein号: 1751215
• 默克索引号: 149074
• PubChem SID: 24278721; 46506189; 160965179; 24888584; 24900217; 24901890; 24900552; 24888585
• PubChem CID: 1123
• CHEBI ID: 15891
• CHEMBL: 239243
• Chemspider ID: 1091
• DrugBank ID: DB01956
• FEMA编号: 3813
• IUPHAR配体索引: 2379
• 美国药典/FDA物质标识码: 1EQV5MLY3D
• 维基百科标题: Taurine
• Flavis Number: 16.056

理论计算性质

JChem

• Acid pKa: -1.4937848
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -2.6147437
• LogD (pH = 7.4): -2.6193852
• Log P: -2.6146874
• 摩尔折射率: 24.6051 cm^3
• 极化性: 10.725443 Å^3
• 极化表面积: 80.39 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: -2.19
• LOG S: -0.08
• 溶解度: 1.05e+02 g/l

分子性质

理化性质

• 溶解度: 80.7 mg/mL at 20 oC [YALKOWSKY,SH & DANNENFELSER,RM (1992)]; H2O: ≥100 mg/mL; H2O: soluble0.1 g/mL, clear, colorless; H2O: soluble0.5 M at 20 °C, clear, colorless; Water
• 外观: White Solid
• 熔点: > 300°C (dec.); >300 °C(lit.); >300°C; 305.11 °C; 328-329 °C (dec.)
• 沸点: (Omalley)
• 密度: 1.00 g/mL at 20 °C; 1.734 g/cm^3 (at -173.15 °C)
• 紫外吸收波长: λ: 260 nm Amax: 0.006; λ: 280 nm Amax: 0.005
• pKa: <0, 9.06
• pH值: 4.5-6.0 (25 °C, 0.5 M in H2O)

安全信息

• 保存条件: -20°C; Refrigerator; Room Temperature (15-30°C)
• RTECS编号: WX0175000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 1; 2
• 危险公开号: 36/37/38
• 安全公开号: 26-36; 26-37
• TSCA收录: 是
• 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; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, Gloves
• 保存温度: 2-8°C

药理学性质

• 相关基因信息: human ... GRIN1(2902)rat ... Ppm1a(24666); rat ... Ppm1a(24666)
• 过敏源: no known allergens

产品相关信息

• 纯度: ≥98%; ≥98.5%; ≥99%; ≥99.0% (T); ≥99.5% (T); 95+%; 99%
• 级别: Halal; Kosher; SAJ first grade
• 成盐信息: Free Base
• 适用性: cell culture tested; meets USP testing specifications; suitable for cell culture; suitable for manufacturing use
• 燃烧残渣: ≤0.1% (as SO4)
• 杂质: endotoxin, tested; insoluble matter, passes filter test
• 痕量阳离子: Al: ≤5 mg/kg; As: ≤0.1 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: chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤500 mg/kg
• 生物来源: from non-animal source
• 干燥失重: ≤0.2% loss on drying, 110 °C
• 产品质量级别: GMP-COMPENDIA
• λ: 0.5 M in H2O
• 产品线: BioUltra
• 线性分子式: NH2CH2CH2SO3H

详细说明

MP Biomedicals - 02103003

Crystalline
Purity: 99%
Amino acid found in most animal tissues, but lacking in plants.

MP Biomedicals - 02194748

Cell Culture Reagent
Crystalline
Purity: 99%
Amino acid found in most animal tissues, but lacking in plants.

DrugBank - DB01956

• Drug Groups: experimental
• Description: A conditionally essential nutrient, important during mammalian development. It is present in milk but is isolated mostly from ox bile and strongly conjugates bile acids. [PubChem]

Selleck Chemicals - S2008

Research Area

• Description: Cardiovascular Disease

Biological Activity

• Description: Taurine is an organic acid widely distributed in animal tissues.
• In Vitro: Taurine is present in high concentration in algae and in the animals including insects and arthropods, but is generally absent or present in traces in the bacterial and plant kingdoms. ^[1] In cardiac tissue alone, taurine levels of 20 mM or higher may be found. Taurine availability protects against cholestasis induced by monohydroxy bile acids remains confined to guinea pigs. ^[2] In addition, Taurine is an essential nutrient for the cat. ^[3] Oral supplementation of taurine results in increased plasma taurine concentrations and is associated with normalization of left ventricular function in both groups of cats. Myocardial concentrations of taurine are directly related to plasma concentrations and low plasma concentrations are found to be associated with myocardial failure in cats, proposing a direct link occurs between decreased taurine concentration in the myocardium and decreased myocardial mechanical function. ^[4]

References

• References: [1] Huxtable RJ. Prog Neurobiol, 1989, 32(6), 471-533.
• References: [2] Chesney RW. Adv Pediatr, 1985, 32, 1-42.
• References: [3] Knopf K, et al. J Nutr, 1978, 108(5), 773-778.
• References: [4] Pion PD, et al. Science, 1987, 237(4816), 764-768.

Sigma Aldrich - T4571

包装
Manufactured and Packaged under cGMP
Biochem/physiol Actions
甘氨酸受体的非选择性内源激动剂。在某些细胞中调节细胞凋亡的条件必需磺化氨基酸；在许多新陈代谢活动中起作用；是蛋氨酸和半胱氨酸的代谢产物。

Sigma Aldrich - T8691

Biochem/physiol Actions
甘氨酸受体的非选择性内源激动剂。在某些细胞中调节细胞凋亡的条件必需磺化氨基酸；在许多新陈代谢活动中起作用；是蛋氨酸和半胱氨酸的代谢产物。

Sigma Aldrich - 86329

Other Notes
Biological role of taurine1; Component of NCTC medium2
Biochem/physiol Actions
甘氨酸受体的非选择性内源激动剂。在某些细胞中调节细胞凋亡的条件必需磺化氨基酸；在许多新陈代谢活动中起作用；是蛋氨酸和半胱氨酸的代谢产物。

Sigma Aldrich - T0625

包装
1 kg in poly bottle
10 mg in autosmp vl
10, 25, 100, 500 g in poly bottle
Biochem/physiol Actions
甘氨酸受体的非选择性内源激动剂。在某些细胞中调节细胞凋亡的条件必需磺化氨基酸；在许多新陈代谢活动中起作用；是蛋氨酸和半胱氨酸的代谢产物。

Sigma Aldrich - W381306

包装
1 kg in poly bottle
1 sample in glass bottle
5, 10 kg in fiber drum
Biochem/physiol Actions
甘氨酸受体的非选择性内源激动剂。在某些细胞中调节细胞凋亡的条件必需磺化氨基酸；在许多新陈代谢活动中起作用；是蛋氨酸和半胱氨酸的代谢产物。

Sigma Aldrich - 152242

Biochem/physiol Actions
甘氨酸受体的非选择性内源激动剂。在某些细胞中调节细胞凋亡的条件必需磺化氨基酸；在许多新陈代谢活动中起作用；是蛋氨酸和半胱氨酸的代谢产物。

Sigma Aldrich - 86330

Biochem/physiol Actions
甘氨酸受体的非选择性内源激动剂。在某些细胞中调节细胞凋亡的条件必需磺化氨基酸；在许多新陈代谢活动中起作用；是蛋氨酸和半胱氨酸的代谢产物。

Sigma Aldrich - 30-0180

Biochem/physiol Actions
甘氨酸受体的非选择性内源激动剂。在某些细胞中调节细胞凋亡的条件必需磺化氨基酸；在许多新陈代谢活动中起作用；是蛋氨酸和半胱氨酸的代谢产物。

Toronto Research Chemicals - T007850

Taurine is an organic acid found in animal tissues and is a major constituent of bile. Taurine has many biological roles such as conjugation of bile acids, antioxidation, osmoregulation, membrane stabilization and modulation of calcium signaling.

参考文献

• Huxtable RJ. Prog Neurobiol, 1989, 32(6), 471-533.
• Chesney RW. Adv Pediatr, 1985, 32, 1-42.
• Knopf K, et al. J Nutr, 1978, 108(5), 773-778.
• Pion PD, et al. Science, 1987, 237(4816), 764-768.
• Brosnan J. et al.: J. Nutrit., 136, 1636S (2006)
• Birdsall, T.C. et al.: Alt. Med. Rev., 3, 128 (2006)
• Foos, T.M. et al.: Neurochem. Res., 27, 21 (2006)
• Das, J. et al.: Pathophysiology, 15, 181 (2006)
• For a monograph, see: Taurine, R. Huxtable, A. Barbeau, Eds., Raven Press, N.Y., (1975).