| Size | Price | |
|---|---|---|
| 500mg | ||
| 1g | ||
| Other Sizes |
| Targets |
HSP90; HSV-1; ERK1; ERK2; NF-κB; Akt; HIF-1α; VEGF/VEGFR-2
|
|---|---|
| ln Vitro |
Twenty ng/mL VEGF-induced tube, cell migration, and HUVEC templates are inhibited by AT-533 (0-1350 nM; 24 h or 48 h) [1]. Under hypoxic conditions, AT-533 (2 μM or 75 μM; 24 h) suppresses the coupling of HIF-1α/VEGF signaling in breast cancer cells and phosphorylates FAK, Akt/mTOR/p70S6K, and Erk1/2 [1]. AT-533 (0.5 μM; 2 h, 4 h) on chorion membrane (CAM) decreases the HSV-1-induced TNF-α, IL- Production of 1β and IL-6. AT-533 (10 nM, 50 nM; 48 h).
|
| ln Vivo |
AT-533 (10 mg/kg; intraperitoneal injection; once daily for 21 days) Fluorescent dye MDA-MB-231 Expression of HIF-1α/VEGF coupling signaling-related proteins in breast cancer xenograft tumor transplant model [1]. AT-533 (1, 2, 4 mg/kg; i.p.; once daily for 30 days) did not produce death, recovery, weight loss, or adverse effects in the Sprague-Dawley subacute poisoning study [
|
| Cell Assay |
Cell Viability Assay [1]
Cell Types: Human Umbilical Vein Endothelial Cells (HUVEC): MCF-7 and MDA-MB-231 Tested Concentrations: 0, 5.6, 16.7, 50, 150, 450 and 1350nM Incubation Duration[2]: 12 hrs (hours), 24 hrs (hours), 48 hrs (hours) and 72 hrs (hours). Experimental Results: Cell viability was inhibited at 48 hrs (hours) with an IC50 value of 50.1 nM. Western Blot Analysis[1] Cell Types: MCF-7 cells and MDA- MB-231 Cell Tested Concentrations: 5 nM, 10 nM, 50 nM and 75 nM Incubation Duration: 24 hrs (hours) Experimental Results: Inhibition of VEGF-2, phosphorylation of Akt, mTOR, Erk1/2, FAK. |
| Animal Protocol |
Animal/Disease Models: MDA-MB-231 breast cancer xenograft male C57BL/6 mice [1]
Doses: 10 mg/kg; 3]. Route of Administration: intraperitoneal (ip) injection; one time/day for 21 days. Experimental Results: The expression of HIF-1α and VEGF was Dramatically down-regulated. |
| References |
|
| Molecular Formula |
C23H30N4O3
|
|---|---|
| Molecular Weight |
410.509305477142
|
| Exact Mass |
410.231
|
| CAS # |
908112-37-8
|
| Related CAS # |
908112-37-8
|
| PubChem CID |
24820800
|
| Appearance |
Off-white to light yellow solid
|
| LogP |
3.3
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
5
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
30
|
| Complexity |
661
|
| Defined Atom Stereocenter Count |
0
|
| InChi Key |
FMOSGTTYAFQMSD-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C23H30N4O3/c1-13-21-19(11-23(2,3)12-20(21)29)27(26-13)15-6-9-17(22(24)30)18(10-15)25-14-4-7-16(28)8-5-14/h6,9-10,14,16,25,28H,4-5,7-8,11-12H2,1-3H3,(H2,24,30)
|
| Chemical Name |
2-[(4-hydroxycyclohexyl)amino]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
|
| Synonyms |
AT-533; AT533; AT 533
|
| 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: ~33.3 mg/mL (81.2 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.09 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 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (6.09 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 25.0 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: ≥ 2.5 mg/mL (6.09 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 | 2.4360 mL | 12.1800 mL | 24.3599 mL | |
| 5 mM | 0.4872 mL | 2.4360 mL | 4.8720 mL | |
| 10 mM | 0.2436 mL | 1.2180 mL | 2.4360 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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