sodium 2-sulfanylethane-1-sulfonate

• ChemBase ID: 103390
• Molecular Formular: C2H5NaO3S2
• Molecular Mass: 164.17907
• Monoisotopic Mass: 163.9577803
• SMILES: [Na+].[O-]S(=O)(=O)CCS
• Canonical SMILES: SCCS(=O)(=O)[O-].[Na+]
• InChI: InChI=1S/C2H6O3S2.Na/c3-7(4,5)2-1-6;/h6H,1-2H2,(H,3,4,5);/q;+1/p-1
• InChIKey: XOGTZOOQQBDUSI-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 2-sulfanylethane-1-sulfonate
• IUPAC Traditional name: potassium 2-sulfanylethanesulfonate; sodium 2-mercaptoethanesulfonate
• Synonyms: sodium 2-sulfanylethane-1-sulfonate; 2-Mercapto-1-ethanesulfonic Acid Monosodium Salt; D 7093; Mesnex; Mistabron; Mistabronco; Mucofluid; UCB 3983; Uromitexan; Mesna; 2-Mercaptoethanesulfonic acid sodium salt; HS-CoM Na; Sodium 2-mercaptoethanesulfonate; Mesna; Coenzyme M sodium salt; Sodium 2-mercaptoethanesulfonate; 2-MERCAPTOETHANE SULFONIC ACID; sodium 2-mercaptoethanesulfonate; 2-巯基乙磺酸 钠盐; 辅酶 M 钠盐; 2-巯基乙烷磺酸钠

Database IDs

• CAS Number: 19767-45-4
• EC Number: 243-285-9
• MDL Number: MFCD00007535
• Beilstein Number: 3657828
• PubChem SID: 24896659; 162090377; 24882823
• PubChem CID: 23662354

CALCULATED PROPERTIES

• Acid pKa: -1.1570375
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.7792103
• LogD (pH = 7.4): -2.7799933
• Log P: -0.40282443
• Molar Refractivity: 28.0085 cm^3
• Polarizability: 12.130931 Å^3
• Polar Surface Area: 57.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Water
• Apperance: White to Off-White Solid
• Melting Point: >240°C dec.; 274 - 276°C
• Hydrophobicity(logP): -1.064

Safety Information

• Storage Condition: -20°C Freezer, Under Inert Atmosphere; Room Temperature (15-30°C)
• RTECS: KI7968000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (RT); ≥98.0% (titration); 95%
• Salt Data: Na+
• Cation Traces: Ca: ≤150 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; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Zn: ≤5 mg/kg
• Loss on Drying: ≤1% loss on drying, 20 °C (HV)
• Product Line: BioXtra
• Linear Formula: HSCH2CH2SO3Na

DETAILS

MP Biomedicals - 02151602

Thermally stable acidic cofactor. Sodium Salt One of the simplest and smallest coenzymes known. Cofactor in the methyl transfer reaction of methanobacterium. Also acts as a water-soluble disulfide reducing agent

Sigma Aldrich - 63705

Other Notes
Biosynthesis of coenzyme M1

Sigma Aldrich - M1511

包装
5, 10, 25 g in poly bottle

Toronto Research Chemicals - M225750

Mesna reacts with acrolein and other urotoxic metabolites of oxazaphosphorines (cyclophosphamide or ifosfamide) to form stable, non-urotoxic compounds. Mesna does not have any antitumour activity, nor does it appear to interfere with the antitumour activi

REFERENCES

• Tekeres, M., et al.: Clin. Ther., 4, 56 (1981)
• Brock, N., et al.: Eur. J. Cancer Clin Oncol., 18, 1377 (1981)
• James, C.A., et al.: Br. J. Clin. Pharmacol., 23, 561 (1981)
• Schoenike, S.E., et al.: Clin. Pharm., 9, 179 (1981)