| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| Other Sizes |
Purity: ≥98%
| Targets |
CUR-61414 targets the Hedgehog signaling pathway by selectively binding to Smoothened (Smo), a key transmembrane protein in this pathway. It acts as a potent inhibitor with a Ki of 44 nM. By inhibiting Smo, CUR-61414 blocks the downstream signaling cascade that is often aberrantly activated in cancers. It is also reported to selectively inhibit the NF-κB signaling pathway, suggesting additional mechanisms of action.
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| ln Vitro |
In BCC-like lesions, CUR61414 inhibits basal cell proliferation and triggers apoptosis, which causes the lesions to fully recede without damaging surrounding skin cells [1].
In vitro, CUR-61414 is a potent inhibitor of the Hedgehog signaling pathway (IC50 = 100-200 nM) and selectively binds to Smo (Ki = 44 nM). It can induce apoptosis in cancer cells without affecting neighboring non-tumor cells. These activities have been demonstrated in various cancer cell lines. Its ability to selectively target cancer cells is a key feature of its profile. |
| ln Vivo |
CUR61414, which produced multiple microscopic BCC-like basal-like lesions throughout the skin, induced the regression of these lesions in mice subjected to UV irradiation for six to nine months. Moreover, basaloid cell nests exhibited a substantial increase in apoptotic nuclei following CUR61414 therapy, while the skin around the wounds showed no signs of toxicity [1].
In vivo, CUR-61414 has been investigated for its therapeutic applications in cancer, autoimmune diseases, and chronic inflammation. By selectively targeting the Hedgehog and NF-κB pathways, it aims to provide a novel approach for managing various pathologies. However, specific details of in vivo efficacy studies are not extensively detailed in the available literature. It is a research compound and is not approved for clinical use. |
| Enzyme Assay |
The in vitro binding assay for CUR-61414 measures its ability to bind to Smoothened (Smo). These cell-free assays typically use membrane preparations from cells expressing Smo and a radiolabeled ligand. The compound's affinity (Ki) is determined by measuring its ability to displace the ligand. Its inhibition of the Hedgehog pathway can be assessed using reporter gene assays in cells.
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| Cell Assay |
In vitro cellular assays for CUR-61414 assess its effects on Hedgehog signaling and cell viability. Cells are treated with CUR-61414, and the activation of Hedgehog target genes is measured using reporter assays or qPCR. Cell viability and apoptosis are assessed in cancer cell lines. These assays demonstrate the compound's functional activity in a relevant cellular context.
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| Animal Protocol |
In vivo animal studies for CUR-61414 are conducted in models of cancer and other diseases to evaluate its efficacy. Its ability to inhibit tumor growth and modulate immune responses is assessed. However, specific details of these studies are not extensively detailed in the available literature. It is a research compound and is not approved for clinical use.
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| ADME/Pharmacokinetics |
Specific pharmacokinetic data for CUR-61414 are not extensively detailed in the available literature. As a small molecule, its pharmacokinetic properties would be important for its in vivo efficacy. However, specific parameters such as half-life and bioavailability are not provided. It is intended for research use only and is not for human use.
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| Toxicity/Toxicokinetics |
Specific toxicity data for CUR-61414 are not extensively detailed in the available literature. As a Hedgehog pathway inhibitor, its toxicity profile is likely related to its mechanism of action. However, its ability to induce apoptosis in cancer cells without affecting non-tumor cells suggests a favorable safety profile. It is intended for research purposes only.
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| References |
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| Additional Infomation |
CUR-61414 is a cell-permeable and potent inhibitor of the Hedgehog signaling pathway. It selectively binds to Smoothened (Smo) with a Ki of 44 nM. It can induce apoptosis in cancer cells without affecting neighboring non-tumor cells. It is also a selective inhibitor of the NF-κB pathway. It is not approved for clinical use and is intended for research purposes only.
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| Molecular Formula |
C31H42N4O5
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| Molecular Weight |
550.7
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| Exact Mass |
550.315
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| CAS # |
334998-36-6
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| Related CAS # |
334998-36-6
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| PubChem CID |
10392802
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| Appearance |
Off-white to light yellow solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
714.1±60.0 °C at 760 mmHg
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| Flash Point |
385.7±32.9 °C
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| Vapour Pressure |
0.0±2.3 mmHg at 25°C
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| Index of Refraction |
1.616
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| LogP |
3.28
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
40
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| Complexity |
859
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| Defined Atom Stereocenter Count |
2
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| SMILES |
CC(C)(C)CC(=O)N(CC1=CC(=CC=C1)OC)[C@H]2C[C@H](N(C2)CC3=CC4=C(C=C3)OCO4)C(=O)N5CCNCC5
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| InChi Key |
WPHXYKUPFJRJDK-AHWVRZQESA-N
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| InChi Code |
InChI=1S/C31H42N4O5/c1-31(2,3)17-29(36)35(19-22-6-5-7-25(14-22)38-4)24-16-26(30(37)33-12-10-32-11-13-33)34(20-24)18-23-8-9-27-28(15-23)40-21-39-27/h5-9,14-15,24,26,32H,10-13,16-21H2,1-4H3/t24-,26-/m0/s1
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| Chemical Name |
N-((3S,5S)-1-(benzo[d][1,3]dioxol-5-ylmethyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl)-N-(3-methoxybenzyl)-3,3-dimethylbutanamide
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| Synonyms |
CUR-61414 CUR 61414 CUR61414 G-024856 G024856 G 024856 G-856 G 856 G856
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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 : ~100 mg/mL (~181.59 mM)
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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 | 1.8159 mL | 9.0794 mL | 18.1587 mL | |
| 5 mM | 0.3632 mL | 1.8159 mL | 3.6317 mL | |
| 10 mM | 0.1816 mL | 0.9079 mL | 1.8159 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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Products are for research use only; We do not sell to patients
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