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| 5mg |
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| Targets |
Valecobulin targets β-tubulin, binding to the colchicine-binding site and inhibiting tubulin polymerization. This disrupts microtubule dynamics, leading to inhibition of cell division and induction of apoptosis in rapidly proliferating cells. As a vascular disrupting agent, it also damages the tumor vasculature, leading to tumor necrosis. The compound's valine prodrug form enhances its oral bioavailability.
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| ln Vitro |
Valecobulin hydrochloride is a potent inhibitor of β-tubulin polymerization. It demonstrates significant antitumor activity against murine and human solid tumors. The compound inhibits cell division and induces apoptosis in rapidly proliferating cells. As a vascular disrupting agent, it also damages the tumor vasculature.
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| ln Vivo |
In a number of human tumor xenograft models, valecobulin (5 mg/kg; i.p.; given on days 2, 6, 10, and 14; male BALB/C nu/nu mice) treatment showed a strong antitumor activity [1].
In vivo, valecobulin hydrochloride has shown marked antitumor activity against murine and human solid tumors. It is a potent β-tubulin polymerization inhibitor with significant activity in mouse xenograft models. The compound's vascular disrupting activity contributes to its antitumor efficacy by causing tumor necrosis. |
| Enzyme Assay |
In vitro assays for valecobulin involve measuring its inhibition of tubulin polymerization. Purified tubulin is incubated with GTP in the presence of varying concentrations of valecobulin. Tubulin polymerization is monitored spectrophotometrically by measuring the increase in absorbance at 340 nm. IC50 values are calculated from inhibition curves.
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| Cell Assay |
Cellular assays for valecobulin are performed using cancer cell lines. Cells are treated with valecobulin at varying concentrations for 48-72 hours. Cell viability is assessed using MTT or CellTiter-Glo assays. IC50 values are determined from dose-response curves. Cell cycle analysis and apoptosis assays are performed to assess the mechanism of action.
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| Animal Protocol |
Animal/Disease Models: Male BALB/C nu/nu (nude) mice (5-6 weeks old) with HCT-116 or HCT-15 cells [1]
Doses: 5 mg/kg Route of Administration: intraperitoneal (ip) injection; 2nd and 6th , 10 and 14-day dosing Experimental Results: demonstrated significant anti-tumor efficacy in a variety of human tumor xenograft models. In vivo animal studies with valecobulin are conducted in mouse xenograft models of human solid tumors. Mice bearing subcutaneous tumors are treated with valecobulin orally or intravenously at various doses. Tumor volume is measured over time, and tumor growth inhibition is calculated. Histological analysis is performed to assess tumor necrosis and vascular disruption. |
| ADME/Pharmacokinetics |
Valecobulin is the L-valine hydrochloride prodrug of S516, designed to enhance oral bioavailability. Its molecular weight is 573.06 g/mol. The compound is metabolized to the active S516 in vivo. Its half-life supports once-daily dosing. For research use, it is typically dissolved in DMSO for in vitro studies and formulated in suitable vehicles for oral or intravenous administration.
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| Toxicity/Toxicokinetics |
Comprehensive toxicological data for valecobulin are limited. As a tubulin inhibitor and vascular disrupting agent, it may cause adverse effects including myelosuppression, gastrointestinal toxicity, and cardiovascular effects. No significant toxicity has been reported in preclinical studies at therapeutic doses. The compound is intended for research use and should be handled with standard safety precautions.
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| References |
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| Additional Infomation |
See also: Valecobulin (Note moved to).
Valecobulin hydrochloride is a research compound developed as a tubulin polymerization inhibitor and vascular disrupting agent for the treatment of solid tumors. It is a prodrug of S516 designed to enhance oral bioavailability. The compound has shown marked antitumor activity in preclinical models. It is not approved for clinical use and is intended for laboratory research only. |
| Molecular Formula |
C26H29CLN6O5S
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|---|---|
| Molecular Weight |
573.063663244247
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| Exact Mass |
572.161
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| CAS # |
1240321-53-2
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| Related CAS # |
S516;1016543-77-3;Valecobulin;1188371-47-2
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| PubChem CID |
46929961
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
5.721
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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 |
39
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| Complexity |
794
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CC(C)[C@@H](C(=O)NC1=NC(=CS1)C2=CC(=C(C=C2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC)N4C=NC=N4)N.Cl
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| InChi Key |
FIAUXCMEQTWLQZ-FTBISJDPSA-N
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| InChi Code |
InChI=1S/C26H28N6O5S.ClH/c1-14(2)22(27)25(34)31-26-30-18(11-38-26)15-6-7-17(19(8-15)32-13-28-12-29-32)23(33)16-9-20(35-3)24(37-5)21(10-16)36-4/h6-14,22H,27H2,1-5H3,(H,30,31,34)1H/t22-/m0./s1
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| Chemical Name |
(S)-N-(4-(3-(1H-1,2,4-triazol-1-yl)-4-(3,4,5-trimethoxybenzoyl)phenyl)thiazol-2-yl)-2-amino-3-methylbutanamide
hydrochloride
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| Synonyms |
ValecobulinCKD516 CKD-516 CKD 516 CKD 516 HCl.
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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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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 : ~125 mg/mL (~218.13 mM)
H2O : ~50 mg/mL (~87.25 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.25 mg/mL (3.93 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 22.5 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. Solubility in Formulation 2: ≥ 2.25 mg/mL (3.93 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 22.5 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. View More
Solubility in Formulation 3: 50 mg/mL (87.25 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.7450 mL | 8.7251 mL | 17.4502 mL | |
| 5 mM | 0.3490 mL | 1.7450 mL | 3.4900 mL | |
| 10 mM | 0.1745 mL | 0.8725 mL | 1.7450 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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