| Size | Price | Stock | Qty |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
Taltobulin intermediate-4 does not have a direct pharmacological target as it is a synthetic intermediate. Its "target" in a research context is the chemical synthesis of Taltobulin, which is a potent tubulin inhibitor. Taltobulin disrupts tubulin polymerization, leading to mitotic arrest and apoptosis in cancer cells. The intermediate is used to synthesize Taltobulin for ADC development.
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| ln Vitro |
In vitro, Taltobulin intermediate-4 is not biologically active as it is a synthetic intermediate. Its activity is measured by its chemical reactivity and suitability as a precursor for Taltobulin synthesis. The compound is used in chemical reactions to produce Taltobulin, which is then tested for its tubulin inhibitory activity in cellular assays.
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| ln Vivo |
Taltobulin intermediate-4 is not used in vivo as a therapeutic agent. It is a chemical intermediate used in the synthesis of Taltobulin, which is a toxin component in ADCs. The compound itself is not administered to animals or humans. Its in vivo effects, if any, have not been characterized as it is not a drug.
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| Enzyme Assay |
Non-cell-based assays for Taltobulin intermediate-4 involve characterization of its chemical properties and purity. The compound's structure is confirmed by NMR and MS. Its purity is determined by HPLC. The compound's chemical properties including molecular formula (C₂₂H₄₀N₂O₅) and molecular weight (412.56) are characterized. Its stability and reactivity in chemical synthesis are evaluated.
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| Cell Assay |
Cellular assays for Taltobulin intermediate-4 are not performed as the compound is a chemical intermediate rather than a biologically active compound. The compound is used in chemical synthesis to produce Taltobulin, which is then tested for its tubulin inhibitory activity in cellular assays. Taltobulin disrupts tubulin polymerization and induces apoptosis in cancer cells.
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| Animal Protocol |
Taltobulin intermediate-4 is not used in animal experiments as it is a chemical intermediate. The compound is used in the synthesis of Taltobulin, which is then tested in animal models as part of ADC development. The compound itself is not administered to animals. Its use is limited to chemical synthesis.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are not applicable to Taltobulin intermediate-4 as it is not a therapeutic agent. The compound is a chemical intermediate used in the synthesis of Taltobulin. Its chemical stability, solubility, and reactivity are characterized for synthetic applications. No PK data are available as the compound is not a drug.
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| Toxicity/Toxicokinetics |
The toxicity of Taltobulin intermediate-4 has not been evaluated as it is not a therapeutic agent. The compound is handled as a chemical reagent with standard laboratory safety precautions. As a synthetic intermediate for a tubulin inhibitor, it may have similar toxicity concerns as the final product. The compound is for research use only and is not intended for human consumption.
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| References | |
| Additional Infomation |
Taltobulin intermediate-4 (CAS# 187345-37-5) is a synthetic intermediate with the molecular formula C₂₂H₄₀N₂O₅ and a molecular weight of 412.56. It is also known as (S,E)-4-((S)-2-((tert-butoxycarbonyl)amino)-N,3,3-trimethylbutylamido)-2. The compound is used in the synthesis of Taltobulin, a potent tubulin inhibitor and ADC toxin component. Taltobulin disrupts tubulin polymerization and induces apoptosis. As of current knowledge, Taltobulin intermediate-4 is not approved as a therapeutic agent.
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| Molecular Formula |
C22H40N2O5
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|---|---|
| Molecular Weight |
412.56
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| Exact Mass |
412.293
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| CAS # |
187345-37-5
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| PubChem CID |
10938542
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| Appearance |
Colorless to light yellow ointment
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
511.2±45.0 °C at 760 mmHg
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| Flash Point |
263.0±28.7 °C
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| Vapour Pressure |
0.0±1.3 mmHg at 25°C
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| Index of Refraction |
1.476
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| LogP |
5.08
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
11
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| Heavy Atom Count |
29
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| Complexity |
612
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| Defined Atom Stereocenter Count |
2
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| SMILES |
O=C(C(C(C)(C)C)NC(=O)OC(C)(C)C)N(C)C(C=C(C(=O)OCC)C)C(C)C
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| InChi Key |
MFZVQAHFZVUOFQ-IDGBWPAGSA-N
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| InChi Code |
InChI=1S/C22H40N2O5/c1-12-28-19(26)15(4)13-16(14(2)3)24(11)18(25)17(21(5,6)7)23-20(27)29-22(8,9)10/h13-14,16-17H,12H2,1-11H3,(H,23,27)/b15-13+/t16-,17-/m1/s1
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| Chemical Name |
ethyl (E,4S)-4-[[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoate
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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: ~100 mg/mL (~242.4 mM; with ultrasonication)
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| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (6.06 mM) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), Suspended solution; with ultrasonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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 (6.06 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), Suspended solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (6.06 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4239 mL | 12.1194 mL | 24.2389 mL | |
| 5 mM | 0.4848 mL | 2.4239 mL | 4.8478 mL | |
| 10 mM | 0.2424 mL | 1.2119 mL | 2.4239 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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