| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 100mg | |||
| Other Sizes |
| Targets |
UPCDC30245 targets AAA ATPase p97 (VCP) through allosteric inhibition. It has an IC50 of approximately 27 nM for allosteric p97 and 300 nM for wild-type p97. The compound inhibits the p97 mutant N660K similarly to wild type and shows 3-fold resistance for the p97 mutant T688A. It also potently inhibits CB-5083 resistant p97 D649A/T688A mutant.
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| ln Vitro |
The intersection of the p97 D1 and D2 domains is where UPCDC-30245 binds [1]. HeLa, A549, BxPC-3, PRMI8226, MM1S, and HCT116 cells are all inhibited in their ability to replicate by UPCDC-30245; in HT29 cells, however, UPCDC-30245 (0.01-100 μM) seems to be resistant to the proliferation of parental and CB-5083 HCT116 cell lines, which have a new p97 double mutation (D649A/T688A). ER, UPR, and asparagine N-linked glycosylation protein processing are among the pathways that are frequently impacted by p97 inhibition. However, UPCDC-30245 (4 μM; 2, 6, 10, 18, 24 hours; functionally enriched set analysis) did not associate with these pathways[3].
UPCDC30245 demonstrates potent inhibition of p97 with an IC50 of approximately 27 nM for allosteric p97 and 300 nM for wild-type p97. It inhibits the p97 mutant N660K similarly to wild type and shows only 3-fold resistance for the p97 mutant T688A. The compound potently inhibits CB-5083 resistant p97 D649A/T688A mutant. It can be used in cancer research. |
| ln Vivo |
In vivo activity data for UPCDC30245 are not extensively detailed in the available literature. As a p97 inhibitor with potent activity against both wild-type and drug-resistant mutants, the compound has potential for anticancer therapy. p97 is a critical regulator of protein homeostasis, and its inhibition leads to endoplasmic reticulum stress and apoptosis in cancer cells. Specific in vivo efficacy data are not reported.
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| Enzyme Assay |
Specific cell-free enzyme/receptor binding assay protocols for UPCDC30245 involve ATPase activity assays using purified p97 protein. IC50 values are determined for wild-type p97 (300 nM), allosteric p97 (27 nM), and p97 mutants N660K and T688A. Inhibition of ATPase activity is measured using coupled enzymatic assays or malachite green phosphate detection.
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| Cell Assay |
In vitro cell-based assays for UPCDC30245 use cancer cell lines to assess p97 inhibition. Cells are treated with UPCDC30245, and effects on protein degradation, endoplasmic reticulum stress, and cell viability are assessed. The compound’s activity against p97 mutant-expressing cells is evaluated to confirm potency against drug-resistant variants.
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| Animal Protocol |
In vivo animal studies for UPCDC30245 are not detailed in the available literature. As a p97 inhibitor with anticancer potential, typical in vivo evaluation would involve xenograft mouse models. Tumor-bearing mice would be treated with UPCDC30245, and tumor growth inhibition, body weight changes, and biomarkers of p97 inhibition would be monitored.
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| ADME/Pharmacokinetics |
Detailed pharmacokinetic properties of UPCDC30245 are not extensively reported. The compound has a molecular formula of C28H38FN5 and a molecular weight of 463.63 g/mol. It has a purity of 99%. The compound is cell-penetrant. Specific pharmacokinetic parameters such as absorption, distribution, metabolism, and excretion are not detailed in the available literature.
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| Toxicity/Toxicokinetics |
Specific toxicological data for UPCDC30245 are not detailed in the available literature. The compound is classified for research use only and is not intended for human therapeutic use. As a p97 inhibitor, potential toxicities would relate to disruption of protein homeostasis in normal tissues, though formal toxicological profiles are not reported.
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| References |
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| Additional Infomation |
UPCDC30245 (CAS 1883351-01-6) is a potent, cell-penetrant allosteric inhibitor of AAA ATPase p97 (VCP) with an IC50 of approximately 27 nM for allosteric p97 and 300 nM for wild-type p97. It inhibits the p97 mutant N660K similarly to wild type and shows 3-fold resistance for the p97 mutant T688A. The compound also inhibits CB-5083 resistant p97 D649A/T688A mutant. No clinical trial or approved indication data are available.
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| Molecular Formula |
C28H38FN5
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|---|---|
| Molecular Weight |
463.633229732513
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| Exact Mass |
463.311
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| CAS # |
1883351-01-6
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| PubChem CID |
114286471
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| Appearance |
White to yellow solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
647.6±55.0 °C at 760 mmHg
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| Melting Point |
647.6 °C
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| Flash Point |
345.4±31.5 °C
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| Vapour Pressure |
0.0±1.9 mmHg at 25°C
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| Index of Refraction |
1.641
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| LogP |
4.56
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
34
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| Complexity |
616
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
LZHXZCVDLATFAR-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C28H38FN5/c1-21(2)33-16-14-32(15-17-33)13-10-30-25-8-11-34(12-9-25)26-5-3-4-22(19-26)28-20-23-18-24(29)6-7-27(23)31-28/h3-7,18-21,25,30-31H,8-17H2,1-2H3
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| Chemical Name |
1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine
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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 : ~200 mg/mL (~431.38 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.49 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 20.8 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: ≥ 2.08 mg/mL (4.49 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 20.8 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. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (4.49 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.1569 mL | 10.7845 mL | 21.5689 mL | |
| 5 mM | 0.4314 mL | 2.1569 mL | 4.3138 mL | |
| 10 mM | 0.2157 mL | 1.0784 mL | 2.1569 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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