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107-35-7 molecular structure
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2-aminoethane-1-sulfonic acid

ChemBase ID: 1723
Molecular Formular: C2H7NO3S
Molecular Mass: 125.14688
Monoisotopic Mass: 125.01466409
SMILES and InChIs

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

Cite this record

CBID:1723 http://www.chembase.cn/molecule-1723.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-aminoethane-1-sulfonic acid
IUPAC Traditional name
taurine
2-aminoethanesulfonic acid
Synonyms
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
2-氨基乙磺酸
牛磺酸
CAS Number
107-35-7
EC Number
203-483-8
MDL Number
MFCD00008197
Beilstein Number
1751215
Merck Index
149074
PubChem SID
24278721
46506189
24900217
24900552
24888585
160965179
24888584
24901890
PubChem CID
1123
CHEBI ID
15891
CHEMBL
239243
Chemspider ID
1091
DrugBank ID
DB01956
FEMA ID
3813
IUPHAR ligand ID
2379
Unique Ingredient Identifier
1EQV5MLY3D
Wikipedia Title
Taurine
Flavis Number
16.056

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa -1.4937848  H Acceptors
H Donor LogD (pH = 5.5) -2.6147437 
LogD (pH = 7.4) -2.6193852  Log P -2.6146874 
Molar Refractivity 24.6051 cm3 Polarizability 10.725443 Å3
Polar Surface Area 80.39 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
Log P -2.19  LOG S -0.08 
Solubility (Water) 1.05e+02 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
80.7 mg/mL at 20 oC [YALKOWSKY,SH & DANNENFELSER,RM (1992)] expand Show data source
H2O: ≥100 mg/mL expand Show data source
H2O: soluble0.1 g/mL, clear, colorless expand Show data source
H2O: soluble0.5 M at 20 °C, clear, colorless expand Show data source
Water expand Show data source
Apperance
White Solid expand Show data source
Melting Point
> 300°C (dec.) expand Show data source
>300 °C(lit.) expand Show data source
>300°C expand Show data source
305.11 °C expand Show data source
328-329 °C (dec.) expand Show data source
Boiling Point
(Omalley) expand Show data source
Density
1.00 g/mL at 20 °C expand Show data source
1.734 g/cm3 (at -173.15 °C) expand Show data source
Absorption Wavelength
λ: 260 nm Amax: 0.006 expand Show data source
λ: 280 nm Amax: 0.005 expand Show data source
pKa
<0, 9.06 expand Show data source
pH
4.5-6.0 (25 °C, 0.5 M in H2O) expand Show data source
Storage Condition
-20°C expand Show data source
Refrigerator expand Show data source
Room Temperature (15-30°C) expand Show data source
RTECS
WX0175000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
2 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Eyeshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Gene Information
human ... GRIN1(2902)rat ... Ppm1a(24666) expand Show data source
rat ... Ppm1a(24666) expand Show data source
Allergens
no known allergens expand Show data source
Purity
≥98% expand Show data source
≥98.5% expand Show data source
≥99% expand Show data source
≥99.0% (T) expand Show data source
≥99.5% (T) expand Show data source
95+% expand Show data source
99% expand Show data source
Grade
Halal expand Show data source
Kosher expand Show data source
SAJ first grade expand Show data source
Salt Data
Free Base expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Download expand Show data source
Suitability
cell culture tested expand Show data source
meets USP testing specifications expand Show data source
suitable for cell culture expand Show data source
suitable for manufacturing use expand Show data source
Ignition Residue
≤0.1% (as SO4) expand Show data source
Impurities
endotoxin, tested expand Show data source
insoluble matter, passes filter test expand Show data source
Cation Traces
Al: ≤5 mg/kg expand Show data source
As: ≤0.1 mg/kg expand Show data source
Ba: ≤5 mg/kg expand Show data source
Bi: ≤5 mg/kg expand Show data source
Ca: ≤10 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Cr: ≤5 mg/kg expand Show data source
Cu: ≤5 mg/kg expand Show data source
Fe: ≤5 mg/kg expand Show data source
K: ≤50 mg/kg expand Show data source
Li: ≤5 mg/kg expand Show data source
Mg: ≤5 mg/kg expand Show data source
Mn: ≤5 mg/kg expand Show data source
Mo: ≤5 mg/kg expand Show data source
Na: ≤50 mg/kg expand Show data source
Ni: ≤5 mg/kg expand Show data source
Pb: ≤5 mg/kg expand Show data source
Sr: ≤5 mg/kg expand Show data source
Zn: ≤5 mg/kg expand Show data source
Antion Traces
chloride (Cl-): ≤50 mg/kg expand Show data source
sulfate (SO42-): ≤500 mg/kg expand Show data source
Biological Source
from non-animal source expand Show data source
Loss on Drying
≤0.2% loss on drying, 110 °C expand Show data source
Quality Level
GMP-COMPENDIA expand Show data source
λ
0.5 M in H2O expand Show data source
Product Line
BioUltra expand Show data source
Linear Formula
NH2CH2CH2SO3H expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals DrugBank DrugBank Selleck Chemicals Selleck Chemicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 02103003 external link
Crystalline
Purity: 99%
Amino acid found in most animal tissues, but lacking in plants.
MP Biomedicals - 02194748 external link
Cell Culture Reagent
Crystalline
Purity: 99%
Amino acid found in most animal tissues, but lacking in plants.
DrugBank - DB01956 external link
Item Information
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 external link
Research Area
Description Cardiovascular Disease
Biological Activity
Description Taurine is an organic acid widely distributed in animal tissues.
Targets
IC50
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]
In Vivo
Clinical Trials
Features
References
[1] Huxtable RJ. Prog Neurobiol, 1989, 32(6), 471-533.
[2] Chesney RW. Adv Pediatr, 1985, 32, 1-42.
[3] Knopf K, et al. J Nutr, 1978, 108(5), 773-778.
[4] Pion PD, et al. Science, 1987, 237(4816), 764-768.
Sigma Aldrich - T4571 external link
Packaging
Manufactured and Packaged under cGMP
Biochem/physiol Actions
Non-selective endogenous agonist at glycine receptors. Conditionally essential sulfonated amino acid which modulates apoptosis in some cells; functions in many metabolic activities; a product of methionine and cysteine metabolism.
Sigma Aldrich - T8691 external link
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 external link
Other Notes
Biological role of taurine1; Component of NCTC medium2
Biochem/physiol Actions
Non-selective endogenous agonist at glycine receptors. Conditionally essential sulfonated amino acid which modulates apoptosis in some cells; functions in many metabolic activities; a product of methionine and cysteine metabolism.
Sigma Aldrich - T0625 external link
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 external link
Packaging
1 kg in poly bottle
1 sample in glass bottle
5, 10 kg in fiber drum
Biochem/physiol Actions
Non-selective endogenous agonist at glycine receptors. Conditionally essential sulfonated amino acid which modulates apoptosis in some cells; functions in many metabolic activities; a product of methionine and cysteine metabolism.
Sigma Aldrich - 152242 external link
Biochem/physiol Actions
Non-selective endogenous agonist at glycine receptors. Conditionally essential sulfonated amino acid which modulates apoptosis in some cells; functions in many metabolic activities; a product of methionine and cysteine metabolism.
Sigma Aldrich - 86330 external link
Biochem/physiol Actions
Non-selective endogenous agonist at glycine receptors. Conditionally essential sulfonated amino acid which modulates apoptosis in some cells; functions in many metabolic activities; a product of methionine and cysteine metabolism.
Sigma Aldrich - 30-0180 external link
Biochem/physiol Actions
Non-selective endogenous agonist at glycine receptors. Conditionally essential sulfonated amino acid which modulates apoptosis in some cells; functions in many metabolic activities; a product of methionine and cysteine metabolism.
Toronto Research Chemicals - T007850 external link
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.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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