| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| Other Sizes |
| Targets |
Hsp90-Cdc37 PPI[1]
DDO-5936 targets the protein-protein interaction between heat shock protein 90 (HSP90) and its co-chaperone Cdc37. HSP90 is a molecular chaperone that stabilizes and activates various protein kinases involved in cell proliferation and survival. Cdc37 is a co-chaperone that recruits client kinases to HSP90. By disrupting the Hsp90-Cdc37 interaction, DDO-5936 destabilizes client kinases and inhibits their activity. The compound can be used for the research of colorectal cancer. |
|---|---|
| ln Vitro |
DDO-5936 is a potent and selective Hsp90-Cdc37 PPI inhibitor that binds to a crucial Glu47-related location on Hsp90[1].
In vitro studies demonstrate that DDO-5936 is a potent and specific Hsp90-Cdc37 PPI inhibitor. The compound disrupts the interaction between HSP90 and Cdc37, destabilizing client kinases. DDO-5936 can be used for the research of colorectal cancer. No detailed IC50 values have been published in the available literature. |
| ln Vivo |
In the high dose group, DDO-5936 (0~80 mg/kg; po) exhibits effects[1]. It is well tolerated when there is no significant weight loss with DDO-5936. The high dose groups of DDO-5936 demonstrate a significant decrease in tumor cells within the xenografts. Oral efficiency is limited in DDO-5936[1].
In vivo, DDO-5936 shows good tolerance without causing severe body weight loss. In high-dose groups, DDO-5936 significantly reduced tumor cells in xenograft tumors. The compound is orally active and can be used for the research of colorectal cancer. These findings support the potential of DDO-5936 as a therapeutic agent for colorectal cancer. |
| Enzyme Assay |
The Hsp90-Cdc37 PPI inhibitory activity of DDO-5936 can be assessed using in vitro binding assays. In a typical assay, recombinant HSP90 and Cdc37 proteins are incubated with varying concentrations of DDO-5936. The disruption of the protein-protein interaction is measured using fluorescence polarization, surface plasmon resonance, or ELISA-based methods. The compound's ability to inhibit the interaction can be confirmed by dose-response curves.
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| Cell Assay |
The cellular activity of DDO-5936 is assessed using colorectal cancer cell lines. Cells are treated with varying concentrations of DDO-5936. The stability and activity of client kinases (such as CDK4, CDK6, and RAF) are assessed by Western blotting. Cell viability is measured using MTT or CellTiter-Glo assays. Apoptosis is assessed by annexin V/propidium iodide staining or caspase activation assays.
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| Animal Protocol |
Animal/Disease Models: Mice[1]
Doses: 0~80 mg/kg Route of Administration: Po Experimental Results: demonstrated a moderate effect at the high dose group. DDO-5936 has been evaluated in xenograft models of colorectal cancer. In these studies, the compound is administered orally. Tumor volumes are measured. The compound shows good tolerance without causing severe body weight loss. In high-dose groups, DDO-5936 significantly reduced tumor cells in xenograft tumors. These findings support the potential of DDO-5936 for the treatment of colorectal cancer. |
| ADME/Pharmacokinetics |
DDO-5936 is orally active, indicating favorable oral bioavailability. The compound has a molecular weight of 495.59 and a molecular formula of C25H29N5O4S. It has a purity of ≥99%. The compound is soluble in DMSO (12.5 mg/mL with ultrasonic and warming to 60°C). Further studies would be needed to fully characterize its absorption, distribution, metabolism, and excretion properties.
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| Toxicity/Toxicokinetics |
DDO-5936 shows good tolerance without causing severe body weight loss in animal models. As an Hsp90-Cdc37 PPI inhibitor, the compound may have on-target effects on HSP90 client kinase stability in normal tissues. Comprehensive toxicology studies would be required to evaluate its safety profile for potential therapeutic development. The compound is intended for research use only.
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| References | |
| Additional Infomation |
DDO-5936 (CAS# 2355377-13-6) is a potent and specific inhibitor of the Hsp90-Cdc37 protein-protein interaction. It disrupts the HSP90-Cdc37 complex, destabilizing client kinases involved in cancer cell proliferation and survival. DDO-5936 is orally active and can be used for the research of colorectal cancer. In vivo, the compound shows good tolerance and significantly reduces tumor cells in xenograft tumors. The molecular formula is C25H29N5O4S and molecular weight is 495.59.
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| Molecular Formula |
C25H29N5O4S
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|---|---|
| Molecular Weight |
495.5939
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| Exact Mass |
495.19
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| Elemental Analysis |
C, 60.59; H, 5.90; N, 14.13; O, 12.91; S, 6.47
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| CAS # |
2355377-13-6
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| Related CAS # |
2355377-13-6 (free acid);DDO5936 sodium;
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| PubChem CID |
141756475
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| Appearance |
White to yellow solid powder
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| LogP |
4.4
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
35
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| Complexity |
795
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC(=O)O)C2=CC=C(C=C2)NC3=NC(=NC=C3)N4CCCC4)C
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| InChi Key |
IIPYRKNROAWEPK-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C25H29N5O4S/c1-17-14-18(2)24(19(3)15-17)35(33,34)30(16-23(31)32)21-8-6-20(7-9-21)27-22-10-11-26-25(28-22)29-12-4-5-13-29/h6-11,14-15H,4-5,12-13,16H2,1-3H3,(H,31,32)(H,26,27,28)
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| Chemical Name |
N-(Mesitylsulfonyl)-N-(4-((2-(pyrrolidin-1-yl)pyrimidin-4-yl)amino)phenyl)glycine
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| Synonyms |
DDO-5936; DDO 5936; DDO5936;
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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 : 12.5 mg/mL (25.22 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (2.52 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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 12.5 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.0178 mL | 10.0890 mL | 20.1780 mL | |
| 5 mM | 0.4036 mL | 2.0178 mL | 4.0356 mL | |
| 10 mM | 0.2018 mL | 1.0089 mL | 2.0178 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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