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Purity: ≥98%
VER-50589 (VER 50589; VER50589) is a highly potent and selective HSP90 (Heat Shock Protein 90) inhibitor with potential antineoplastic activity. It inhibits HSP90 with an IC50 of 21 nM for HSP90β. VER-50589 exhibits excellent anti-proliferative activity in vitro with a mean cellular antiproliferative GI50 of 78 nM against a human cancer cell lines. It also demonstrates high in vivo antitumor efficacy in HCT116 human colon cancer xenografts.
| ln Vitro |
The Hsp90 inhibitor VER-50589 has a Kd of 4.5 nM and an IC50 of 21 nM. With an IC50 of 143 ± 23 nM in the presence of 400 μM ATP, VER-50589 inhibits the intrinsic ATPase of full-length recombinant yeast Hsp90. It also exhibits antiproliferative activities against a range of human cancer cells, with the lowest GI50 of 32.7 ± 0.2 nM for CH1 human ovarian cells and a mean GI50 of 78 ± 15 nM. With a GI50 value of 19 ± 2.4 nM, VER-50589 inhibits the growth of human umbilical vein endothelial cells (HUVEC) and exhibits greater GI50s against nontumorigenic human breast (MCF10a) and prostate (PNT2) epithelial cells. Moreover, VER-50589 exhibits isogenic cell line biological activities that are identical to each other and unaffected by NQO1 expression. Additionally, VER-50589 blocks G1 and G2-M at 115 or 575 nM and leads HCT116 colon cancer cells to undergo cytostasis. Furthermore, VER-50589 significantly increases HCT116 cell uptake[1].
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| ln Vivo |
In athymic mice with developed OVCAR3 human ovarian ascites tumors, VER-50589 (4 mg/kg, ip) completely inhibits HSP90. In comparison to the control mouse group, VER-50589 (100 mg/kg, ip) reduces tumor weight and volume in HCT116 colon cancer xenografts[1].
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| References |
| Molecular Formula |
C19H17CLN2O5
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| Molecular Weight |
388.80
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| Exact Mass |
388.082
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| CAS # |
747413-08-7
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| Related CAS # |
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| PubChem CID |
135446210
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| Appearance |
White to off-white solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
583.0±50.0 °C at 760 mmHg
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| Flash Point |
306.4±30.1 °C
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| Vapour Pressure |
0.0±1.7 mmHg at 25°C
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| Index of Refraction |
1.613
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| LogP |
1.5
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
27
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| Complexity |
503
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
JXPCDMPJCKNLBY-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C19H17ClN2O5/c1-3-21-19(25)17-16(10-4-6-11(26-2)7-5-10)18(27-22-17)12-8-13(20)15(24)9-14(12)23/h4-9,23-24H,3H2,1-2H3,(H,21,25)
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| Chemical Name |
5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)isoxazole-3-carboxamide
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| Synonyms |
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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 |
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| 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) |
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.5720 mL | 12.8601 mL | 25.7202 mL | |
| 5 mM | 0.5144 mL | 2.5720 mL | 5.1440 mL | |
| 10 mM | 0.2572 mL | 1.2860 mL | 2.5720 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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