ACT-451840

• CAS: 1984890-99-4
• Catalog Number: ACM1984890994
• Category: Inhibitors
• Molecular Weight: 750.99
• Molecular Formula: C47H54N6O3
• Description: ACT-451840 is a drug that exhibits antimalarial activity. It has potent activity against sensitive and resistant Plasmodium falciparum strains.
• Synonyms: ACT-451840; ACT451840; ACT 451840
• IUPAC 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
• Canonical 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
• InChI: 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
• InChI Key: BQZUYCCCNXOADJ-TVNMEPFQSA-N
• Solubility: Soluble in DMSO
• Appearance: Solid powder
• Shelf Life: >2 years if stored properly
• Storage: Dry, dark and at 0-4 °C for short term (days to weeks) or -20 °C for long term (months to years).
• Alternative CAS: 1984890-99-4 (S-isomer); 1839508-99-4 (racemic)
• Biological Target: ACT-451840 shows a 50 % inhibition concentration of 0.4 nM against the drug-sensitive P. falciparum NF54 strain. The IC50 value of ACT-451840 against the murine malaria parasite P. berghei is 13.5 nM in in vitro ex vivo assays.
• Drug Formulation: This drug may be formulated in DMSO
• Elemental Analysis: C, 75.17; H, 7.25; N, 11.19; O, 6.39
• Exact Mass: 750.4257
• HS Tariff Code: 2934.99.9001
• In Vitro Activity: In summary, ACT-451840 had an IC50 below 10 nM in vitro against a panel of sensitive and resistant strains of P. falciparum and was fully active against recently identified artemisinin-resistant strains. Furthermore, the compound showed ex vivo activity against P. falciparum and P. vivax as well as a single digit mg/kg ED90 in a P. falciparum murine model. In addition, the compound inhibited growth of all asexual blood stages of P. falciparum in vitro, and its in vitro PRR was similar to that of chloroquine.; Reference: PLoS Med. 2016 Oct 4;13(10):e1002138. https://pubmed.ncbi.nlm.nih.gov/27701420/
• In Vivo Activity: In summary, ACT-451840 had an IC50 below 10 nM in vitro against a panel of sensitive and resistant strains of P. falciparum and was fully active against recently identified artemisinin-resistant strains. Furthermore, the compound showed ex vivo activity against P. falciparum and P. vivax as well as a single digit mg/kg ED90 in a P. falciparum murine model. In addition, the compound inhibited growth of all asexual blood stages of P. falciparum in vitro, and its in vitro PRR was similar to that of chloroquine.; Reference: PLoS Med. 2016 Oct 4;13(10):e1002138. https://pubmed.ncbi.nlm.nih.gov/27701420/
• Shipping: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
• Stock Solution Storage: 0-4 °C for short term (days to weeks), or -20 °C for long term (months).