Aliskiren - CAS 173334-57-1
Catalog number: 173334-57-1
Category: Inhibitor
Not Intended for Therapeutic Use. For research use only.
Molecular Formula:
Molecular Weight:
Aliskiren hemifumarate appears to bind to both the hydrophobic S1/S3-binding pocket and to a large, distinct subpocket that extends from the S3-binding site towards the hydrophobic core of renin. Oral bioavailability of Aliskiren hemifumarate is 2.4% in rats, 16% in marmosets and about 2.5% in humans. Aliskiren hemifumarate (< 10 mg/kg, oral) inhibits plasma renin activity and lowers blood pressure in sodium-depleted marmosets.Once-daily oral treatment with Aliskiren hemifumarate lowers blood pressure effectively, with a safety and tolerability profile, in patients with mild-to-moderate hypertension.
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CGP 60536; CGP60536B; Rasilez; SPP 100; Tekturna
1. Intramolecular hydrogen bonding to improve membrane permeability and absorption in beyond rule of five chemical space
Alexander Alex, David S. Millan,*Manuel Perez, Florian Wakenhut and Gavin A. Whitlock. Med. Chem. Commun., 2011, 2, 669–674
Aliskiren is another peptide mimetic BRo5 drug within the higher Mw (Mw > 500 Da) group described above. The compound breaks the Ro5 due to its combined high Mw and H-bond donors (Table 2), but unlike atazanavir, aliskiren is poorly absorbed in humans with a very low reported oral bioavailability (Fz3%). We were interested to investigate whether or not the modelled lowest energy conformation calculated in the gas phase would predict for IHB formation. Interestingly, the lowest energy conformation predicts for two IHBs, leaving four exposed exchangeable protons (Fig. 7). Clearly, four exposed hydrogen bond donors would be considered deleterious for good membrane permeation, and indeed the compound suffers from poor intrinsic cell perme-ability, as observed in the MDCK cell line, and also poor absorption in rat and human (Table 3). Importantly, this observation demonstrates that the gas phase conformational searching does not always find a conformation that is capable of IHB formation and therefore compounds with poor membrane permeability could be predicted for using this technique. Efforts to determine the number of IHBs by NMR temperature dependency experiments were hampered by the low solubility of aliskiren in deuterated chloroform, and deuterated toluene, and therefore we were unable to obtain useful data.
2. Pharmacological and therapeutic properties of new derivatives of renin inhibitors and endothelin receptor antagonists, and the methods of their determination
Mariusz Stolarczyk,*Anna Apola, Anna Ma´ slanka and Jan Krzek. Anal. Methods,2015,7, 4419–4442
Apart from separation methods, spectrophotometric and spectro fluorometricmethods were also used for aliskiren determination. Mai A. Ramadan and Muhammed B. Abuiriban elaborated a spectrophotometric method for aliskiren determination in pharmaceuticals using the reaction of derivatization from o-phthalaldehyde and N-acetylcysteine in an alkaline buffer. The reaction involved a 0.05% methanol solution of o-phthalaldehyde and a 0.06% water solution of N-acetylcysteine. The powdered tablet mass was subject to the process of extraction with water within a time of 1 h. 2 mL of the obtained solution was collected after filtering, 1.0 mL o-phthalaldehyde (0.05%), 1.0 mL N-acetylcys-teine (0.06%) and 1.0 mL borate buffer (0.2 M, pH 10.0) were added, the whole was mixed and leftat a room temperature for 10 min. Then, the sample was dissolved with distilled water and the absorption spectrum was registered in the range of 200–500nm. The reaction product was characterized by a spectrum with adifferentiated course and a distinctly marked absorption maximum at 335 nm, which was used for quantitative analysis.
3. Synthesis of amino heterocycle aspartyl protease inhibitors
Rachel K. Chambers, Tanweer A. Khan, David B. Olsen and Brad E. Sleebs*. Org. Biomol. Chem.,2016,14, 4970–4985
Aspartyl proteases are important pharmacological targets. There are several aspartyl protease inhibitors that have entered the market place or have entered the clinical setting, treating diseases such as hypertension, Alzheimer’s disease, and HIV. Aliskiren (Tekturna©) an inhibitor of the aspartyl protease renin, was a first in class drug that entered the market in 2007 for treatment of hypertension. Aliskiren was developed from a transition state peptidomimetic strategy, and although the journey of drug to the marketplace was successful, it was a long exhaustive pathway to the clinic. The issues with under-taking a peptidomimetic approach to develop an inhibitor suitable forin vivo dosing, have been well documented, and further exemplified by the low oral bioavailability of Aliskiren. Lessons learnt from the peptidomimetic approach to develop Aliskiren were implemented in the development of HIV aspar-tyl protease inhibitors. Ten of these inhibitors, such as Lopina-vir and Ritonavir, are all in the marketplace. Although these drugs underpin the success of the mimetic approach, the development of drugs treating HIV and hypertension was long and exhaustive, due to difficulties with complex syntheses and oral bioavailability.
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Chemical Structure

CAS 173334-57-1 Aliskiren

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