Description: CCT-251236, a chemical probe bisamide, is a novel, potent and orally bioavailable Pirin Ligand identified from a Heat Shock Transcription Factor 1 (HSF1) Phenotypic Screen (IC50 of 19 nM for inhibition of HSF1-mediated HSP72 induction).
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| 25mg |
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Purity: ≥98%
CCT-251236, a chemical probe bisamide, is a novel, potent and orally bioavailable Pirin Ligand identified from a Heat Shock Transcription Factor 1 (HSF1) Phenotypic Screen (IC50 of 19 nM for inhibition of HSF1-mediated HSP72 induction). In an ovarian cancer xenograft model for humans, CCT251236 shows promise and is orally bioavailable. The WM266.4 cell line was effectively inhibited by CCT251236 (pGI50 = 7.92 ± 0.10, GI50 = 12 nM, n = 11).
| Targets |
HSP72 ( IC50 = 19 nM )
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|---|---|
| ln Vitro |
CCT251236 (0-100 nM; 24 hours) inhibits HSF1-mediated HSP72 induction with a pIC50=7.73 ± 0.07 (IC50=19 nM), demonstrating the appropriate balance of in vitro properties while maintaining excellent cellular activity. Based on the free fraction in the cell assay, the free GI50 in SK-OV-3 cells is 1.1 nM[1].
CCT251236 (0-100 nM; 24 hours) inhibits the expression of the HSF1-mediated heat-shock proteins, HSP72 and HSP27, in a concentration-dependent manner in SK-OV-3 cells[1]. CCT251236 (0-100 nM; 24 hours) inhibits the dose-dependent induction of HSPA1A mRNA by 17-AAG after being pre-treated with 250 nM 17-AAG for 6 hours[1]. |
| ln Vivo |
CCT251236 (oral adminstation; 5 or 20 mg/kg) has a free Cav0-24h value of 2.0 nM and 1.2 nM, respectively, in immunocompetent BALB/c mice without tumors [2].
CCT251236 (oral adminstation; 20 mg/kg; 33 days) exhibits a definite therapeutic efficacy in mice with a tumor growth inhibition (%TGI) of 70% based on final tumor volumes. The mean tumor weights decreased by 64% after 33 days compared to the control group. Furthermore, tumors containing CCT251236 at concentrations as high as 940 nM demonstrate the compound's basicity and broad volume of distribution[2]. |
| Cell Assay |
Cell Line: SK-OV-3 cells
Concentration: 0 nM; 10 nM; 100 nM
Incubation Time: 24 hours
Result: Inhibited HSP72 and HSP27 expression at the dose of 10 nM.
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| Animal Protocol |
Athymic mice with SK-OV-3 cells
20 mg/kg; 33 days Oral adminstation |
| References |
| Molecular Formula |
C32H32N4O5
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|---|---|
| Molecular Weight |
552.620287895203
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| Exact Mass |
552.24
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| Elemental Analysis |
C, 69.55; H, 5.84; N, 10.14; O, 14.48
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| CAS # |
1693731-40-6
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| Appearance |
Solid powder
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| SMILES |
CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCCO3)NC(=O)C4=CC5=C(C=C4)N=C(C=C5)OCCN6CCCC6
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| InChi Key |
KLHOCHQJHXNKAS-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C32H32N4O5/c1-21-4-8-25(33-31(37)24-6-10-28-29(19-24)40-17-16-39-28)20-27(21)35-32(38)23-5-9-26-22(18-23)7-11-30(34-26)41-15-14-36-12-2-3-13-36/h4-11,18-20H,2-3,12-17H2,1H3,(H,33,37)(H,35,38)
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| Chemical Name |
N-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-methylphenyl]-2-(2-pyrrolidin-1-ylethoxy)quinoline-6-carboxamide
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| Synonyms |
CCT251236; CCT 251236; CCT-251236
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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 : ≥ 150 mg/mL (~271.4 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.52 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 25.0 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.8096 mL | 9.0478 mL | 18.0956 mL | |
| 5 mM | 0.3619 mL | 1.8096 mL | 3.6191 mL | |
| 10 mM | 0.1810 mL | 0.9048 mL | 1.8096 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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