| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg |
|
||
| 25mg |
|
||
| 50mg |
|
||
| 100mg |
|
||
| 250mg |
|
||
| Other Sizes |
|
| Targets |
RIP1 (Kd = 5.3 μM); Bcl-2; Bcl-xL; Bim; Bak
|
|---|---|
| ln Vitro |
In vitro, BH3I-1 prevents Bcl-xL heterodimerization. It also causes the release of cytochrome c[1]. While inhibiting its reported targets Bcl-2/Bim and Bcl-xL/Bim, BH3I-1 also significantly inhibits the interactions between p53/hDM2 and p300/Hif-1a[2].
|
| Cell Assay |
Cells (5×104 cells per well) are seeded into white 96-well plates (Costar) and treated with various concentrations of the compounds for 48 h. Cells are preincubated with 100 µM zVAD-FMK for 1 hour prior to the addition of chemicals for zVAD-FMK protection experiments. An MTS assay is used to gauge cell viability. Cells are expanded in 24-well plates for PI staining experiments before being incubated with 2 g ml/L PI. FACS analysis is used to identify cell death.
|
| References | |
| Additional Infomation |
2-[5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-3-methylbutanoic acid is a valine derivative.
|
| Molecular Formula |
C15H14BRNO3S2
|
|---|---|
| Molecular Weight |
400.3106
|
| Exact Mass |
398.96
|
| Elemental Analysis |
C, 45.01; H, 3.53; Br, 19.96; N, 3.50; O, 11.99; S, 16.02
|
| CAS # |
300817-68-9
|
| Related CAS # |
300817-68-9
|
| PubChem CID |
5720188
|
| Appearance |
Light yellow to yellow solid powder
|
| LogP |
3.697
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
5
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
22
|
| Complexity |
513
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
BrC1C([H])=C([H])C(=C([H])C=1[H])C([H])=C1C(N(C(=S)S1)C([H])(C(=O)O[H])C([H])(C([H])([H])[H])C([H])([H])[H])=O
|
| InChi Key |
COHIEJLWRGREHV-YRNVUSSQSA-N
|
| InChi Code |
InChI=1S/C15H14BrNO3S2/c1-8(2)12(14(19)20)17-13(18)11(22-15(17)21)7-9-3-5-10(16)6-4-9/h3-8,12H,1-2H3,(H,19,20)/b11-7+
|
| Chemical Name |
2-[(5E)-5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid
|
| Synonyms |
BH3I1; BH 3I1; BH-3I1; BH3I-1; BH 3I-1; BH-3I-1
|
| 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: 64~100 mg/mL (159.9~249.8 mM)
Ethanol: ~13 mg/mL (~32.5 mM) |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.25 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 (6.25 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4981 mL | 12.4903 mL | 24.9806 mL | |
| 5 mM | 0.4996 mL | 2.4981 mL | 4.9961 mL | |
| 10 mM | 0.2498 mL | 1.2490 mL | 2.4981 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
