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Isethionic acid (80% in water)

CAT: 0804-HY-Y0095-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-Y0095-01Size:500 mg
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Description
Isethionic acid is a calcium binder and anionic detergent that enhances mitochondrial calcium binding capacity by competitively binding to calcium binding sites on the outer mitochondrial membrane. Isethionic acid can inhibit calcium-activated mitochondrial respiration. Isethionic acid inhibits barnacle (Balanus amphitrite) larvae with LC50s of 23 μg/mL (24 h) and 17 μg/mL (48 h), respectively. Isethionic acid can inhibit the attachment of barnacle larvae (complete inhibition at 10 μg/mL) and regulate mitochondrial calcium transport, and can enhance ATP-dependent calcium uptake at high calcium concentrations. Isethionic acid can be used to study the mechanism of mitochondrial calcium metabolism.
CAS Number
107-36-8
Product Name Alternative
2-Hydroxyethanesulfonic acid
UNSPSC
12352100
Hazard Statement
H302, H314
Target
Mitochondrial Metabolism; Parasite
Type
Natural Products
Related Pathways
Anti-infection; Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/isethionic-acid.html
Purity
80.00
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=S(CCO)(O)=O
Molecular Formula
C2H6O4S
Molecular Weight
126.13
Precautions
H302, H314
References & Citations
[1]Hellio C, et al. Isethionic acid and floridoside isolated from the red alga, Grateloupia turuturu, inhibit settlement of Balanus amphitrite cyprid larvae. Biofouling. 2004 Jun;20 (3) :139-45.|[2]Dolara P, et al. Effect of 2-aminoethanesulphinic acid (taurine) and 2-hydroxyethane sulphonic acid (isethionic acid) on calcium transport by rat liver mitochondria. Biochem Pharmacol. 1973 Sep 1;22 (17) :2085-94.
Shipping Conditions
Blue Ice
Storage Conditions
Solution, -20°C, 2 years
Scientific Category
Natural Products
Clinical Information
No Development Reported
Isoform
Human Endogenous Metabolite

Chemical Information

Isethionic Acid

Isethionic acid is an alkanesulfonic acid in which the sulfo group is directly linked to a 2-hydroxyethyl group. It has a role as a human metabolite. It is a conjugate acid of an isethionate.

CAS Number107-36-8
PubChem CID7866
IUPAC Name2-hydroxyethanesulfonic acid
Molecular FormulaC2H6O4S
Molecular Weight126.13
XLogP-1.6
Topological Polar Surface Area83
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity117
SMILES
C(CS(=O)(=O)O)O
InChI
InChI=1S/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6)
InChIKey
SUMDYPCJJOFFON-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isethionic Acid
CAS: 107-36-8
CID: 7866
Formula: C2H6O4S
MW: 126.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight126.13
XLogP3-1.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass125.99867984
Monoisotopic Mass125.99867984
Topological Polar Surface Area83 Ų
Heavy Atom Count7
Formal Charge0
Complexity117
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes