| Size | Price | Stock | Qty |
|---|---|---|---|
| 5g |
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| 10g |
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| 25g |
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| 50g |
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| Other Sizes |
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Bentiamine (Dibenzoyl Thiamine. Dibenzoyl Thiamine) is a derivative of thiamine which is rapidly absorbed into systemic circulation and converted to thiamine. Thiamine (vitamin B₁) is a vitamin and an essential micronutrient, which cannot be made in the body.
| ln Vitro |
Dibenzoyl Thiamine is a thiamine derivative made up of thiamine and benzoic acid. It is not degraded by neuraminidase (a thiamine-degrading enzyme), making it more suited for food processing than thiamine hydrochloride [1].
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|---|---|
| ln Vivo |
Dibenzoyl Thiamine was shown to have no particular harmful effects in a 6-month chronic toxicity investigation in male Wistar rats fed at food levels up to 1000 ppm. Dibenzoyl Thiamine has neither embryotoxic nor teratogenic effects, according to rat teratogenicity tests. Dibenzoyl Thiamine is not mutagenic, according to dominant lethality experiments, in vivo cytogenetic testing, and mutagenicity tests conducted in bacterial systems. Benzoic acid and vitamin Br are produced during the metabolism of dibenzoyl thiamine; the benzoic acid portion is nearly all eliminated in the urine as hippuric acid [1].
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| References |
[1]. Heywood R, et al. Tumorigenic and toxic effect of O,S-dibenzoyl thiamine hydrochloride in prolonged dietaryadministration to rats. Toxicol Lett. 1985 Jul;26(1):53-8
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| Additional Infomation |
Dibenzoyl Thiamine is a benzoate ester.
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| Molecular Formula |
C26H26N4O4S
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|---|---|
| Molecular Weight |
490.58
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| Exact Mass |
490.167
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| CAS # |
299-88-7
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| PubChem CID |
3036235
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.291g/cm3
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| Boiling Point |
718.2ºC at 760mmHg
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| Melting Point |
173ºC
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| Flash Point |
388.1ºC
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| Vapour Pressure |
1.78E-20mmHg at 25°C
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| Index of Refraction |
1.639
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| LogP |
5.594
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
11
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| Heavy Atom Count |
35
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| Complexity |
750
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S(C(C1C([H])=C([H])C([H])=C([H])C=1[H])=O)/C(/C([H])([H])C([H])([H])OC(C1C([H])=C([H])C([H])=C([H])C=1[H])=O)=C(/C([H])([H])[H])\N(C([H])=O)C([H])([H])C1=C([H])N=C(C([H])([H])[H])N=C1N([H])[H]
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| InChi Key |
AZJUFRDUYTYIHV-NKFKGCMQSA-N
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| InChi Code |
InChI=1S/C26H26N4O4S/c1-18(30(17-31)16-22-15-28-19(2)29-24(22)27)23(35-26(33)21-11-7-4-8-12-21)13-14-34-25(32)20-9-5-3-6-10-20/h3-12,15,17H,13-14,16H2,1-2H3,(H2,27,28,29)/b23-18-
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| Chemical Name |
Benzenecarbothioic acid, S-(2-(((4-amino-2-methyl-5-pyrimidinyl)methyl)formylamino)-1-(2-(benzoyloxy)ethyl)-1-propenyl) ester
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| Synonyms |
DibenzoylthiamineBentiamine CCRIS1339Bentiamina CCRIS-1339Bentiaminum
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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 (~101.92 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.10 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 25.0 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: ≥ 2.5 mg/mL (5.10 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 25.0 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: ≥ 2.5 mg/mL (5.10 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.0384 mL | 10.1920 mL | 20.3840 mL | |
| 5 mM | 0.4077 mL | 2.0384 mL | 4.0768 mL | |
| 10 mM | 0.2038 mL | 1.0192 mL | 2.0384 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.
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