| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| 10mg | |||
| Other Sizes |
| Targets |
The compound targets multiple cellular pathways involved in cancer cell survival. It modulates the activity of Protein Phosphatase 2A (PP2A), a tumor suppressor. This modulation leads to the induction of FOXO1 transcription factor translocation to the nucleus, where it can activate the expression of pro-apoptotic and cell cycle arrest genes. It targets Phosphatase and FOXO pathways.
|
|---|---|
| ln Vitro |
Anticancer agent 7 has anti-proliferative properties. Anticancer agent 7 is beneficial as a therapy for cancer treatment as well as for the treatment of many other diseases[1].
In vitro, Anticancer agent 7 exhibits potent anti-proliferative properties. It effectively inhibits the proliferation of H1650 lung cancer cells, with an IC50 value of 5 uM. It has also shown activity against other cancer cell lines such as H1975 (lung adenocarcinoma). The compound‘s primary mechanism is to induce cell cycle arrest and apoptosis in cancer cells. |
| ln Vivo |
Specific in vivo activity data for Anticancer agent 7 is not available in the provided search results. Its mechanism of action and potency suggest that it would be used in animal models of cancer, such as mouse xenograft models (e.g., H1650 lung cancer cells subcutaneously implanted in nude mice) to test tumor growth inhibition and survival benefit.
|
| Enzyme Assay |
A non-cellular phosphatase activity assay is used to assess PP2A modulation. Recombinant PP2A enzyme (or immunoprecipitated PP2A from cell lysates) is incubated with a synthetic phosphopeptide substrate and varying concentrations of Anticancer agent 7. The enzymatic reaction is stopped, and the amount of free phosphate released is detected by a colorimetric malachite green reagent to quantify the modulatory effect (activation or inhibition).
|
| Cell Assay |
Cell Viability Assay[1]
Cell Types: H1650 lung cancer cells Tested Concentrations: Incubation Duration: 48 hrs (hours) Experimental Results: IC50 value of 5 μM. A Cell Viability Assay (Cytotoxicity Assay) is the primary in vitro cellular test. H1650 lung cancer cells are seeded in 96-well plates. After 24 hours, the cells are treated with a range of concentrations of Anticancer agent 7 (typically 0.1-100 uM) for 48-72 hours. A solution of MTT or Cell Counting Kit-8 (CCK-8) is added to each well. After 1-4 hours, the absorbance is measured using a microplate reader. The IC50 value (concentration that reduces cell viability by 50%) is calculated. |
| Animal Protocol |
A generic in vivo protocol would involve a mouse xenograft model. Immunodeficient nude mice are injected subcutaneously in the flank with H1650 lung cancer cells (2-5 × 10⁶ cells). When tumors reach an average volume of 100-200 mm3, the mice are randomized and treated with Anticancer agent 7 (dissolved in a vehicle like 10% DMSO in corn oil). The compound would be administered daily by intraperitoneal (i.p.) injection at doses of 2.5-25 mg/kg. Tumor volumes are measured with calipers every 2-3 days, and body weights are monitored. At the end of the study (2-4 weeks), tumors are excised and weighed to assess tumor growth inhibition (TGI).
|
| ADME/Pharmacokinetics |
Dedicated PK data for Anticancer agent 7 is not available. As a small molecule (MW 575.38, C24H19Cl2F3N2O5S), it is expected to have a drug-like profile. In silico models predict high lipophilicity (LogP ~7.23) and high protein binding. It is soluble in DMSO (100 mg/mL), but has poor aqueous solubility. The oral bioavailability and half-life would need to be determined experimentally.
|
| Toxicity/Toxicokinetics |
Specific toxicity data for Anticancer agent 7 is not provided. As an anticancer agent, it is expected to be cytotoxic to rapidly dividing cells. Standard chemical safety precautions for cytotoxic compounds must be used (gloves, fume hood). It is not intended for human use, and no clinical safety studies have been conducted as it is a preclinical research compound.
|
| References |
[1]. Michael Ohlmeyer, et al. Heterocyclic constrained tricyclic sulfonamides as anti-cancer agents. WO2017044569A1.
|
| Additional Infomation |
Anticancer agent 7 (Example 5) is a sulfonamide compound discovered by Merck (through the WO2017044569A1 patent). Its structure is N-((3R,4R,5S)-5-(3,6-dichlorocarbazol-9-yl)-4-hydroxyoxan-3-yl)-4-(trifluoromethoxy)benzenesulfonamide. It has a purity of 99.26% and is a research-grade compound. It has not been evaluated in human clinical trials.
|
| Molecular Formula |
C24H19CL2F3N2O5S
|
|---|---|
| Molecular Weight |
575.38
|
| Exact Mass |
574.034
|
| CAS # |
2088956-21-0
|
| PubChem CID |
126694105
|
| Appearance |
Off-white to pink solid powder
|
| Density |
1.6±0.1 g/cm3
|
| Boiling Point |
661.9±65.0 °C at 760 mmHg
|
| Flash Point |
354.1±34.3 °C
|
| Vapour Pressure |
0.0±2.1 mmHg at 25°C
|
| Index of Refraction |
1.655
|
| LogP |
7.23
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
9
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
37
|
| Complexity |
876
|
| Defined Atom Stereocenter Count |
3
|
| SMILES |
ClC1C([H])=C([H])C2=C(C=1[H])C1C([H])=C(C([H])=C([H])C=1N2C1([H])C([H])([H])OC([H])([H])C([H])(C1([H])O[H])N([H])S(C1C([H])=C([H])C(=C([H])C=1[H])OC(F)(F)F)(=O)=O)Cl
|
| InChi Key |
XXCAYCBBVUGGDY-OIBXWCBGSA-N
|
| InChi Code |
InChI=1S/C24H19Cl2F3N2O5S/c25-13-1-7-20-17(9-13)18-10-14(26)2-8-21(18)31(20)22-12-35-11-19(23(22)32)30-37(33,34)16-5-3-15(4-6-16)36-24(27,28)29/h1-10,19,22-23,30,32H,11-12H2/t19-,22+,23+/m1/s1
|
| Chemical Name |
N-[(3R,4R,5S)-5-(3,6-dichlorocarbazol-9-yl)-4-hydroxyoxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO: 100 mg/mL (173.80 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.34 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.7380 mL | 8.6899 mL | 17.3798 mL | |
| 5 mM | 0.3476 mL | 1.7380 mL | 3.4760 mL | |
| 10 mM | 0.1738 mL | 0.8690 mL | 1.7380 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
