S-[(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-phosphonooxypent-2-en-3-yl] benzenecarbothioate

Base Information

Chemical Name:S-[(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-phosphonooxypent-2-en-3-yl] benzenecarbothioate
CAS No.:22457-89-2
Molecular Formula:C19H23N4O6PS
Molecular Weight:466.455
Hs Code.:
European Community (EC) Number:245-013-4
ChEMBL ID:CHEMBL1491875
NCI Thesaurus Code:C169805
Nikkaji Number:J3.153D
NSC Number:758241
Wikipedia:Benfotiamine
Mol file:22457-89-2.mol

Synonyms:benfothiamine;benfotiamine;benphothiamine;BTMP-benfo;milgamma;Neurostop;S-benzoylthiamine monophosphate

Suppliers and Price of S-[(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-phosphonooxypent-2-en-3-yl] benzenecarbothioate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
Benfotiamine
250mg
$ 50.00

TRC
Benfotiamine
100mg
$ 45.00

TCI Chemical
S-Benzoylthiamine O-Monophosphate >98.0%(HPLC)(T)
25g
$ 183.00

TCI Chemical
S-Benzoylthiamine O-Monophosphate >98.0%(HPLC)(T)
5g
$ 73.00

Sigma-Aldrich
S-{(1Z)-2-[[(4-Amino-2-methyl-5-pyrimidinyl)methyl](formyl)amino]-1-[2-(phosphonooxy)ethyl]-1-propenyl} benzenecarbothioate AldrichCPR
100mg
$ 53.00

Sigma-Aldrich
S-Benzoylthiamine O-monophosphate
250mg
$ 60.40

DC Chemicals
Benfotiamine >98%
1 g
$ 400.00

ChemScene
Benfotiamine 99.26%
5g
$ 622.00

ChemScene
Benfotiamine 99.26%
1g
$ 162.00

ChemScene
Benfotiamine 99.26%
500mg
$ 95.00

Total 206 raw suppliers

Chemical Property of S-[(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-phosphonooxypent-2-en-3-yl] benzenecarbothioate

Chemical Property:

Appearance/Colour:White crystalline powder
Vapor Pressure:2.55E-23mmHg at 25°C
Melting Point:165 °C
Refractive Index:1.645
Boiling Point:745.1 °C at 760 mmHg
PKA:1.84±0.10(Predicted)
Flash Point:404.4 °C
PSA：191.05000
Density:1.444 g/cm³
LogP:3.84720
Storage Temp.:2-8°C
Solubility.:Aqueous Acid (Slightly), DMSO (Heated, Sonicated)
XLogP3:0.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:10
Exact Mass:466.10759264
Heavy Atom Count:31
Complexity:697

Purity/Quality:

99.0% min ^*data from raw suppliers

Benfotiamine ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 20/21/22-36/37/38
Safety Statements: 26-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOP(=O)(O)O)SC(=O)C2=CC=CC=C2)C
Isomeric SMILES:CC1=NC=C(C(=N1)N)CN(C=O)/C(=C(\CCOP(=O)(O)O)/SC(=O)C2=CC=CC=C2)/C
Recent ClinicalTrials:A Trial to Evaluate the Safety and Efficacy of Benfotiamine in Patients With Early Alzheimer's Disease (BenfoTeam)
Recent EU Clinical Trials:Randomized double-blind, placebo-controlled parallel group study over 12 months to assess the effects of treatment with benfotiamine on morphometric, neurophysiological, and clinical measures in type 2 diabetes patients with mild to moderate symptomatic polyneuropathy - BOND Study
Uses S-Benzoylthiamine O-monophosphate has been used to determine its effect on ischemia and reperfusion in skeletal muscles of rat. Vitamin B1 analog. Synthetic S-acyl derivative of Thiamine (T344185).
Therapeutic Function Analgesic

Technology Process of S-[(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-phosphonooxypent-2-en-3-yl] benzenecarbothioate

There total 8 articles about S-[(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-phosphonooxypent-2-en-3-yl] benzenecarbothioate 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: 100.0%

: 532-40-1
thiamine monophosphate chloride

: 98-88-4
benzoyl chloride

: 22457-89-2
S-[2-[[(4-amino-2-methyl-5 pyrimidinyl)methyl]formylamino]-1-[2-(phosphonooxy)ethyl]-1-propenyl] ester

Guidance literature:: thiamine monophosphate chloride; With water; sodium hydroxide; at 0 - 15 ℃; for 1h; pH=12.5 - 13;

benzoyl chloride; at -1 - 6 ℃;

With hydrogenchloride; at 0 - 10 ℃; for 3h; pH=3.8 - 4.1;