| Size | Price | Stock | Qty |
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| 5mg |
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| ln Vitro |
Ac-DEVD-CMK (100 μM; 24 h) prevents apoptosis produced by IDB [3]. Detroit 562 and FaDu human pharyngeal squamous cell carcinoma cell lines are resistant to citrate (10 mM)-induced p21 cleavage and G2/M accumulation when treated with Ac-DEVD-CMK (10 μM) for 36 hours [4].
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| ln Vivo |
At 20 mg/kg, ACT-451840 (10 and 60 mg kg) begins to exhibit notable antimalarial effects (reduction of parasites). At 300 mg/kg, ACT-451840 demonstrates curative action, and at 100 mg/kg, it already has strong antimalarial effects. At 30 mg/kg, ACT-451840 exhibits a good decrease with 99.80% activity[2]. In a mouse model of Plasmodium berghei, ACT-451840 demonstrates effectiveness[2].
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| References |
[1]. Bruderer S, et al. First-in-humans study of the safety, tolerability, and pharmacokinetics of ACT-451840, a new chemical entity with antimalarial activity. Antimicrob Agents Chemother. 2015;59(2):935-942.
[2]. Boss C, et al. Discovery and Characterization of ACT-451840: an Antimalarial Drug with a Novel Mechanism of Action. ChemMedChem. 2016;11(18):1995-2014. [3]. Le Bihan A, et al. Characterization of Novel Antimalarial Compound ACT-451840: Preclinical Assessment of Activity and Dose-Efficacy Modeling. PLoS Med. 2016;13(10):e1002138. Published 2016 Oct 4. |
| Molecular Formula |
C47H54N6O3
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|---|---|
| Molecular Weight |
750.97
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| Exact Mass |
750.43
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| Elemental Analysis |
C, 75.17; H, 7.25; N, 11.19; O, 6.39
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| CAS # |
1984890-99-4
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| Related CAS # |
1984890-99-4 (S-isomer);1839508-99-4 (racemic);
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| SMILES |
O=C(N(CC1=CC=C(N2CCN(C(C)=O)CC2)C=C1)[C@@H](CC3=CC=CC=C3)C(N4CCN(CC5=CC=C(C#N)C=C5)CC4)=O)/C=C/C6=CC=C(C(C)(C)C)C=C6
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| InChi Key |
BQZUYCCCNXOADJ-TVNMEPFQSA-N
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| InChi Code |
InChI=1S/C47H54N6O3/c1-36(54)50-28-30-51(31-29-50)43-21-16-41(17-22-43)35-53(45(55)23-18-37-14-19-42(20-15-37)47(2,3)4)44(32-38-8-6-5-7-9-38)46(56)52-26-24-49(25-27-52)34-40-12-10-39(33-48)11-13-40/h5-23,44H,24-32,34-35H2,1-4H3/b23-18+/t44-/m0/s1
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| Chemical Name |
(2E)-N-[[4-(4-Acetyl-1-piperazinyl)phenyl]methyl]-N-[(1S)-2-[4-[(4-cyanophenyl)methyl]-1-piperazinyl]-2-oxo-1-(phenylmethyl)ethyl]-3-[4-(1,1-dimethylethyl)phenyl]-2-propenamide
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| Synonyms |
ACT-451840; ACT451840; ACT 451840
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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 : 41.67 mg/mL (55.49 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (2.77 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 20.8 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: 2.08 mg/mL (2.77 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 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: ≥ 2.08 mg/mL (2.77 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 | 1.3316 mL | 6.6581 mL | 13.3161 mL | |
| 5 mM | 0.2663 mL | 1.3316 mL | 2.6632 mL | |
| 10 mM | 0.1332 mL | 0.6658 mL | 1.3316 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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