| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Chemical intermediate
|
|---|---|
| ln Vivo |
Di-n-butyl phthalate (DBP), a phthalate ester, has been shown to have an adjuvant effect on fluorescein isothiocyanate (FITC)-induced contact hypersensitivity (CHS) mouse models. Dibutyl maleate /Di-n-butyl maleate (DBM), widely used as a plasticizer for industrial application, has been reported to cause dermatitis in humans. DBM is a butyl alcohol ester of di-carboxylic acid that represents a part of the DBP structure, while di-n-butyl fumarate (DBF) is a trans isomer of DBM. We examined whether DBM or DBF exhibits an adjuvant effect like DBP does. When BALB/c mice were epicutaneously sensitized with FITC in the presence of DBM or DBF, the FITC-specific CHS response was enhanced, as we have observed for DBP. As to underlying mechanisms, DBM and DBF facilitated the trafficking of FITC-presenting CD11c(+) dendritic cells (DCs) from skin to draining lymph nodes and increased the cytokine production by draining lymph nodes. In conclusion, DBM and DBF may have an effect that aggravates contact dermatitis through a skin sensitization process [1].
|
| Toxicity/Toxicokinetics |
rat LD50 oral 3700 mg/kg Raw Material Data Handbook, Vol.1: Organic Solvents, 1974., 2(19), 1975
mouse LD50 intraperitoneal 150 mg/kg National Technical Information Service., AD691-490 rabbit LD50 skin 10 gm/kg Raw Material Data Handbook, Vol.1: Organic Solvents, 1974., 2(19), 1975 |
| References |
| Molecular Formula |
C15H17N
|
|---|---|
| Molecular Weight |
211.3
|
| Exact Mass |
228.136
|
| Elemental Analysis |
C, 63.14; H, 8.83; O, 28.03
|
| CAS # |
105-76-0
|
| Related CAS # |
29014-72-0
|
| PubChem CID |
5271569
|
| Appearance |
Colorless to light yellow liquid（Density：0.988 g/cm3）
|
| Density |
1.0±0.1 g/cm3
|
| Boiling Point |
280.0±0.0 °C at 760 mmHg
|
| Melting Point |
-85°C
|
| Flash Point |
136.4±18.2 °C
|
| Vapour Pressure |
0.0±0.5 mmHg at 25°C
|
| Index of Refraction |
1.452
|
| LogP |
3.81
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
10
|
| Heavy Atom Count |
16
|
| Complexity |
209
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O(C(/C(/[H])=C(/[H])\C(=O)OC([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
|
| InChi Key |
JBSLOWBPDRZSMB-FPLPWBNLSA-N
|
| InChi Code |
InChI=1S/C12H20O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7-
|
| Chemical Name |
dibutyl (Z)-but-2-enedioate
|
| Synonyms |
DBM (VAN); AI3-00644; DIBUTYL MALEATE; 105-76-0; Butyl maleate; Staflex DBM; RC Comonomer DBM; Dibutylmaleate; Maleic acid, dibutyl ester; di-n-Butyl maleate; Dibutyl maleate
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~438.06 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (10.95 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 (10.95 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 (10.95 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 | 4.7326 mL | 23.6630 mL | 47.3261 mL | |
| 5 mM | 0.9465 mL | 4.7326 mL | 9.4652 mL | |
| 10 mM | 0.4733 mL | 2.3663 mL | 4.7326 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
