| Size | Price | Stock | Qty |
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| 500mg |
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| 1g |
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| 5g |
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| References |
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| Additional Infomation |
Benfotiamine is a thioester that is a synthetic analogue of thiamine obtained by acylative cleavage of the thiazole ring and O-phospohorylation. It has a role as an immunological adjuvant, a nutraceutical, an antioxidant, a provitamin B1 and a protective agent. It is an aminopyrimidine, a member of formamides, an organic phosphate and a thioester. It is functionally related to a thiamine(1+).
Benfotiamine has been investigated for the treatment and prevention of Diabetic Nephropathy and Diabetes Mellitus, Type 2. See also: Benfotiamine (annotation moved to). |
| Molecular Formula |
C19H23N4O6PS
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|---|---|
| Molecular Weight |
466.4488
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| Exact Mass |
466.107
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| CAS # |
22457-89-2
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| Related CAS # |
147317-17-7 (semihydrate);22457-89-2 (free acid);
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| PubChem CID |
3032771
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| Appearance |
White to off-white solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
745.1±70.0 °C at 760 mmHg
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| Melting Point |
165ºC
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| Flash Point |
404.4±35.7 °C
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| Vapour Pressure |
0.0±2.6 mmHg at 25°C
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| Index of Refraction |
1.645
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| LogP |
1.81
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
10
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| Rotatable Bond Count |
10
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| Heavy Atom Count |
31
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| Complexity |
697
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=NC=C(C(=N1)N)CN(C=O)/C(=C(/CCOP(=O)(O)O)\SC(=O)C2=CC=CC=C2)/C
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| InChi Key |
BTNNPSLJPBRMLZ-LGMDPLHJSA-N
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| InChi Code |
InChI=1S/C19H23N4O6PS/c1-13(23(12-24)11-16-10-21-14(2)22-18(16)20)17(8-9-29-30(26,27)28)31-19(25)15-6-4-3-5-7-15/h3-7,10,12H,8-9,11H2,1-2H3,(H2,20,21,22)(H2,26,27,28)/b17-13-
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| Chemical Name |
S-[(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-phosphonooxypent-2-en-3-yl] benzenecarbothioate
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| Synonyms |
CB 8088 Berdi Betivina BiotaminBRN-0771326 BTMP CB-8088 CB8088 Benfotiamine S-benzoylthiamine O-monophosphate
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ≥ 50 mg/mL (~107.19 mM)
H2O : ~0.67 mg/mL (~1.44 mM) |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 3 mg/mL (6.43 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 30.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 3 mg/mL (6.43 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 30.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 3 mg/mL (6.43 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 3.12 mg/mL (6.69 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication (<60°C). |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.1439 mL | 10.7193 mL | 21.4385 mL | |
| 5 mM | 0.4288 mL | 2.1439 mL | 4.2877 mL | |
| 10 mM | 0.2144 mL | 1.0719 mL | 2.1439 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
| NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
| NCT02292238 | COMPLETEDWITH RESULTS | Drug: Benfotiamine | Alzheimer's Disease | Burke Medical Research Institute | 2015-02-15 | Phase 2 |
| NCT01868191 | UNKNOWN STATUS | Drug: Benfotiamine Drug: Placebo for benfotiamine |
Diabetic Neuropathies | Diabetes Schwerpunktpraxis | 2013-07 | Phase 3 |
| NCT00565318 | COMPLETED | Drug: Benfotiamine Drug: Placebo |
Diabetic Nephropathy | University Medical Center Groningen | 2007-12 | Phase 4 |
| NCT00785460 | COMPLETED | Drug: Benfotiamine | Healthy Subjects | Ruhr University of Bochum | 2008-01 | Phase 3 |
| NCT03892707 | COMPLETEDWITH RESULTS | Drug: Exposure of interest (within routine clinical practice): Vitamin B complexes Milgamma® and Milgamma® compositum |
Acute Non-specific Low Back Pain | Woerwag Pharma LLC | 2018-12-15 |
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