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| Targets |
AU-16235 does not target biological receptors; it is an inactive epimer of the active compound AU-15330. While the active epimer AU-15330 is an androgen receptor (AR) degrader with a DC50 of 10-40 nM that induces rapid and deep degradation of both wildtype and mutant forms of AR, AU-16235 has been confirmed to be inactive against its intended targets. As a negative control, it is used to validate that the biological effects observed with AU-15330 are specifically due to its interaction with its targets and are not caused by structural analogs or off-target effects.
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| ln Vitro |
AU-16235 lacks intrinsic in vitro biological activity, particularly in the context of cancer cell proliferation. The compound has been confirmed to have no effect on cancer cell survival and growth. In contrast, its active epimer AU-15330 exhibits potent antiproliferative activity against androgen receptor-dependent cancer cells. AU-16235 serves as an essential control compound in cell-based assays to differentiate between specific, target-mediated effects and non-specific cytotoxicity or other artifacts. The compound's inactivity makes it a valuable tool for validating screening results and establishing the mechanism of action of active rocaglate analogs.
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| ln Vivo |
AU-16235 is not intended for in vivo studies as a therapeutic agent and does not exhibit in vivo biological activity. It is used exclusively as a control in research settings. The active epimer AU-15330 has demonstrated in vivo antitumor activity in xenograft models of prostate cancer, where it effectively degrades androgen receptor and inhibits tumor growth. In contrast, AU-16235 serves as a negative control in such studies, helping researchers attribute observed effects to the specific epimer configuration. As a research-grade compound, AU-16235 is not intended for human use or clinical applications.
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| Enzyme Assay |
A typical non-cellular (cell-free) protocol for using AU-16235 as a negative control involves its inclusion alongside the active compound (AU-15330) in biochemical assays such as protein binding or enzymatic activity measurements. For example, in an androgen receptor binding assay, recombinant AR protein is incubated with increasing concentrations of either AU-15330 (0.1-1000 nM) or AU-16235 (same concentration range) in assay buffer (50 mM Tris-HCl, 150 mM NaCl, 0.1% BSA, pH 7.5) for 2 hours at 4degC. Bound and free compounds are separated by filtration through a glass fiber filter or by equilibrium dialysis. The amount of bound compound is quantified by LC-MS/MS or by using a radiolabeled tracer (if available). The IC50 for AR binding is calculated for AU-15330, while AU-16235 is expected to show no significant binding, confirming its inactivity.
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| Cell Assay |
An in vitro cellular protocol for using AU-16235 as a negative control involves its inclusion in cell viability assays alongside the active epimer AU-15330. Androgen receptor-positive prostate cancer cells (e.g., LNCaP or VCaP cells) are seeded in 96-well plates at 5×103 cells/well in RPMI-1640 medium with 10% charcoal-stripped FBS (to remove androgens) and allowed to attach overnight. The next day, cells are treated with serial dilutions of AU-15330 (0.1 nM to 10 microM) or AU-16235 (same concentration range) for 72 hours. Cell viability is assessed using an MTT or CellTiter-Glo assay. The active compound is expected to reduce cell viability with a GI50 in the low nanomolar range, while AU-16235 should show no effect on cell viability at any concentration tested. Each condition is performed in triplicate, and the results are compared to vehicle-treated controls.
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| Animal Protocol |
An in vivo animal protocol for using AU-16235 as a negative control involves its inclusion in xenograft studies alongside the active epimer AU-15330. Male athymic nude mice (6-8 weeks old) are subcutaneously injected with 5×10⁶ VCaP cells (androgen receptor-positive prostate cancer cells) suspended in Matrigel. When tumors reach approximately 100-150 mm3, mice are randomized into treatment groups (n=8-10 per group): vehicle control, AU-15330 (10 mg/kg), AU-16235 (10 mg/kg), and positive control (e.g., enzalutamide, 10 mg/kg). All compounds are formulated in a suitable vehicle (e.g., 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% saline) and administered intraperitoneally or orally once daily for 28 days. Tumor volumes are measured twice weekly with calipers, and body weights are monitored. At study termination, tumors are harvested for analysis of AR degradation by Western blot and immunohistochemistry. AU-15330 should reduce tumor growth and AR levels, while AU-16235-treated mice should show tumor growth similar to the vehicle group.
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| ADME/Pharmacokinetics |
AU-16235 is an inactive epimer and is not characterized by typical pharmacokinetic parameters as it is not intended for use as a therapeutic agent. The active compound AU-15330 has been studied for its pharmacokinetic properties, but specific data for AU-16235 are not available. As a control compound, AU-16235 is expected to have similar physicochemical properties (molecular weight, solubility, etc.) to its active epimer, but without the biological activity. Researchers may use it in pharmacokinetic studies as a negative control to assess whether distribution or metabolism differs from the active form, but such data are not commonly reported. For all practical purposes, AU-16235 is considered a research-grade chemical with no PK characteristics relevant to therapeutic use.
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| Toxicity/Toxicokinetics |
Toxicity data specific to AU-16235 are not available because the compound is intended for research use only as an inactive control and not as a therapeutic agent. The active epimer AU-15330 has been evaluated in preclinical toxicology studies, but no such data have been reported for AU-16235. As a small-molecule compound, standard laboratory safety precautions should be followed when handling AU-16235, including the use of appropriate personal protective equipment (gloves, lab coat, safety goggles) and working in a well-ventilated area. The compound should be stored at 4degC under nitrogen, away from moisture, and in solvent at -80degC for 6 months or -20degC for 1 month. AU-16235 is for research use only and is not intended for human or veterinary diagnostic or therapeutic applications.
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| References |
[1]. Xiao L, et al. Targeting SWI/SNF ATPases in enhancer-addicted prostate cancer. Nature. 2022;601(7893):434-439.
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| Additional Infomation |
AU-16235 (CAS 2380275-40-9) is a research-grade chemical that serves as an inactive epimer of AU-15330. The compound is specifically used as a negative control to validate the mechanism of action of active rocaglates targeting eIF4A (eukaryotic initiation factor 4A). Rocaglates are a class of natural product-inspired compounds that inhibit cap-dependent translation by clamping eIF4A onto mRNA. The biological activity of rocaglates is exquisitely sensitive to their three-dimensional configuration. CR-1-31-B, the active enantiomer, potently inhibits eIF4A by requiring specific pi-pi stacking interactions with both the protein and the RNA substrate. As an inactive control, AU-16235 helps establish that the observed biological effects are specifically due to target engagement rather than non-specific interactions.
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| Molecular Formula |
C39H49N9O5S
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|---|---|
| Molecular Weight |
755.93
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| Exact Mass |
755.357
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| CAS # |
2380275-40-9
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| Related CAS # |
AU-15330;2380274-50-8
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| PubChem CID |
156113155
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| Appearance |
White to light yellow solid powder
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| LogP |
3.3
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| Hydrogen Bond Donor Count |
5
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| Hydrogen Bond Acceptor Count |
12
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| Rotatable Bond Count |
11
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| Heavy Atom Count |
54
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| Complexity |
1280
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| Defined Atom Stereocenter Count |
4
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| SMILES |
CC1=C(SC=N1)C2=CC=C(C=C2)[C@H](C)NC(=O)[C@@H]3C[C@@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CN4CCN(CC4)C5=CC(=NN=C5N)C6=CC=CC=C6O)O
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| InChi Key |
HDCCMCFIGHIDJR-QRTBKBKJSA-N
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| InChi Code |
InChI=1S/C39H49N9O5S/c1-23(25-10-12-26(13-11-25)34-24(2)41-22-54-34)42-37(52)31-18-27(49)20-48(31)38(53)35(39(3,4)5)43-33(51)21-46-14-16-47(17-15-46)30-19-29(44-45-36(30)40)28-8-6-7-9-32(28)50/h6-13,19,22-23,27,31,35,49-50H,14-18,20-21H2,1-5H3,(H2,40,45)(H,42,52)(H,43,51)/t23-,27-,31-,35+/m0/s1
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| Chemical Name |
(2S,4S)-1-[(2S)-2-[[2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
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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 (e.g. under nitrogen), 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: 100 mg/mL (132.29 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (6.61 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 50.0 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: ≥ 5 mg/mL (6.61 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 50.0 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: ≥ 5 mg/mL (6.61 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 | 1.3229 mL | 6.6144 mL | 13.2287 mL | |
| 5 mM | 0.2646 mL | 1.3229 mL | 2.6457 mL | |
| 10 mM | 0.1323 mL | 0.6614 mL | 1.3229 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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