Fursultiamine

Base Information

• Chemical Name: Fursultiamine
• CAS No.: 804-30-8
• Molecular Formula: C17H26N4O3S2
• Molecular Weight: 398.55
• European Community (EC) Number: 212-357-1
• UNII: 05J61265PX
• Nikkaji Number: J852D
• Wikipedia: Fursultiamine
• Wikidata: Q5509734
• NCI Thesaurus Code: C121852
• Metabolomics Workbench ID: 152041
• ChEMBL ID: CHEMBL1740659
• Mol file: 804-30-8.mol

Synonyms:Disulfide, Thiamine Tetrahydrofurfuryl;Fursultiamin;Fursultiamin Hydrochloride;Fursultiamin Monohydrochloride;Fursultiamine;Hydrochloride, Fursultiamin;Monohydrochloride, Fursultiamin;Thiamine Tetrahydrofurfuryl Disulfide

Chemical Property of Fursultiamine

Chemical Property:

• Vapor Pressure: 6.64E-18mmHg at 25°C
• Melting Point: 130-136 °C (decompos.)
• Refractive Index: 1.626
• Boiling Point: 652.3 °C at 760 mmHg
• PKA: 14.42±0.10(Predicted)
• Flash Point: 348.3 °C
• PSA: 152.17000
• Density: 1.305 g/cm³
• LogP: 3.71700
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• Solubility.: soluble in organic solvents such as ethanol, DMSO, and dimethyl formamide (DMF).
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 398.14463305
• Heavy Atom Count: 26
• Complexity: 481

Purity/Quality:

99% ^*data from raw suppliers

Fursultiamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCO)SSCC2CCCO2)C
• Isomeric SMILES: CC1=NC=C(C(=N1)N)CN(C=O)/C(=C(\CCO)/SSCC2CCCO2)/C
• Recent ClinicalTrials: Fursultiamine in Esophageal Squamous Cell Carcinoma Patients Who Receive Concurrent Chemoradiotherapy
• Recent NIPH Clinical Trials: Effect of thiamine for the treatment of motor and non-motor symptom in hereditary neurological or neurodegenerative disorders
• Description: Fursultiamine (syn. thiamine tetrahydrofurfuryl disulfide) is a vitamin B1 derivative which is rarely used, is only sparingly soluble in water and thus is usually employed only for solid drug forms. Lyophilisates are stabilized by sodium dextran sulfate.
• Uses: Fursultiamine is an oral source of thiamine, used in comparative pharmacokinectic analysis of thiamine and it’s phosphorylated metabolites administered as multivitamin preparations, identification of drug candidate against prostate cancer from aspect of somatic cell reprogramming, therapeutic tool in number of human neurological diseases.

Technology Process of Fursultiamine

There total 4 articles about Fursultiamine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ thiamine tetrahydrofurfuryl disulfide (804-30-8) + Sucrose (57-50-1)

Guidance literature:

Reference yield:

→ thiamine tetrahydrofurfuryl disulfide (804-30-8)

Guidance literature:

Thiamin, S-Tetrahydrofurfurylisothioharnstofftetrathionat;

Reference yield:

Thiamine hydrochloride (67-03-8,70732-86-4) → thiaminetetrahydrofurfuryl disulfide (804-30-8)

Guidance literature:

With sodium hydroxide; water; Behandeln des Reaktionsprodukts mit Natrium-<S-tetrahydrofurfuryl-thiosulfat> in CHCl3;

upstream raw materials:

Thiamine hydrochloride

Refernces