| Field | Specification |
|---|---|
| Target | |
| Alternative names | ACT-132577 |
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C16H14Br2N6O4S |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
Aprocitentan, also known as ACT-132577, is the major, pharmacologically active metabolite of macitentan. It is an orally active dual ETA/ETB antagonist with IC50 values of 3.4 nM and 987 nM and pA2 values of 6.7 and 5.5, respectively, and it functions as an antihypertensive agent[1]. It is supplied as a white to off-white solid (C16H14Br2N6O4S, MW 546.19) at 99.55% purity.
Physical & Chemical Properties
| CAS Number | 1103522-45-7 |
|---|---|
| Molecular Formula | C16H14Br2N6O4S |
| Molecular Weight | 546.19 g/mol |
| Purity | 99.55% |
| Appearance | Solid |
| Color | White to off-white |
| SMILES | O=S(N)(NC1=NC=NC(OCCOC2=NC=C(Br)C=N2)=C1C3=CC=C(Br)C=C3)=O |
| Target | ET A, ET A 6.7 (pA2), ET B, ET B 5.5 (pA2) |
| Signaling Pathway | GPCR/G Protein |
| Solubility | In Vitro: DMSO: 25 mg/mL (45.77 mM; Requires sonication and warming and heat to 60°C; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO) |
| Storage | Powder: -20°C, 3 years; 4°C, 2 years. In solvent: -80°C, 2 years; -20°C, 1 year. |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Biological Activity
IC50 & Target[1]
|
ETA 3.4 nM (IC50) |
ETA 6.7 (pA2) |
ETB 987 nM (IC50) |
ETB 5.5 (pA2) |
Literature Cited
Sources cited in this description and in the In Vitro & In Vivo Data tab. Peer-reviewed publications that used this product are listed under References.
Safety
For Research Use Only. Not for use in diagnostic or therapeutic procedures, and not for human or veterinary use. Handle in accordance with the Safety Data Sheet and your institution's chemical hygiene plan.
In Vitro
| Solvent | Solubility | Notes |
|---|---|---|
| DMSO | 25 mg/mL (45.77 mM) | requires sonication and warming and heat to 60°C; use freshly opened DMSO (absorbed moisture lowers solubility) |
Aliquot the stock solution and store it at -80°C (up to 2 years) or -20°C (up to 1 year); avoid repeated freeze-thaw cycles.
In Vivo
Choose the formulation that suits the animal model and route of administration; percentages are volume ratios of the final working solution. Start from a clear DMSO stock (see In Vitro above), add the co-solvents one at a time in the order listed, mixing after each addition, and prepare the working solution fresh on the day of dosing. If precipitation or phase separation occurs, gentle warming or sonication can help.
Protocol 1
| Composition | 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% saline |
|---|---|
| Result | ≥ 2.5 mg/mL (4.58 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.5 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL DMSO stock (25.0 mg/mL) to 400 μL PEG300; then 50 μL Tween-80; then 450 μL saline to bring the volume to 1 mL. Saline: dissolve 0.9 g sodium chloride in ddH2O and make up to 100 mL. |
Protocol 2
| Composition | 10% DMSO + 90% Corn Oil |
|---|---|
| Result | ≥ 2.5 mg/mL (4.58 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.5 mg/mL (saturation not determined). Use with caution if continuous dosing will exceed two weeks. For 1 mL of working solution: add 100 μL DMSO stock (25.0 mg/mL) to 900 μL corn oil. |
Data provided by the manufacturer.
In Vitro
Intracellular calcium increase induced by ET-1 is fully inhibited by Aprocitentan (ACT-132577) in nonrecombinant cells (primary human pulmonary smooth muscle cells; the A10 cell line from rat aortic smooth muscle; and the 3T3 mouse fibroblast cell line)[1].
In Vivo
The volume of distribution of Aprocitentan (ACT-132577) in the rat exceeds the plasma volume, and its half-life is longer than that of its parent compound[1]. For Aprocitentan (ACT-132577) in rat plasma, the mean recovery ranges from 82.6% to 90.6%, and the matrix effect of Aprocitentan (ACT-132577) ranges from 101.4% to 115.2%[2].
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
Need this compound in a format that drops straight into your assay? We can tailor formulation, chemistry, and documentation so your results stay consistent across runs and re-orders.
- Format options: solid or pre-dissolved solution (choose solvent), target concentration, aliquots, light/moisture-protected packaging
- Chemistry options: free base/acid vs salt forms, hydrate/solvate preference, stereoisomer control (single enantiomer or racemate), close analogs
- Add-on labels & handles: D/¹³C/¹⁵N isotopes (LC-MS/internal standards), azide/alkyne or other functional handles for conjugation
- QC & documentation: standard COA or enhanced analytical pack (HPLC/LC-MS/NMR), chiral purity, residual solvents, water content (KF), method-specific specs
- Scale & continuity: mg to gram scale, bulk pricing, lot reservation, repeat-order continuity
To quote quickly, tell us: compound name + CAS/structure (SMILES or mol file), intended assay context, solvent preference, salt/stereochemistry requirements, purity/QC level, and the amount (mg–g).
Can’t find the compound you’re looking for?
Send the CAS or structure and your specs. We can help source it, suggest close equivalents, or discuss custom synthesis with the right QC documentation (RUO).
The Endothelin Receptor Antagonist Macitentan Inhibits Human Cytomegalovirus Infection. Cells 2021 Nov 8;10(11):3072. PMID: 34831300
Aprocitentan mitigates doxorubicin-induced cardiotoxicity by inhibiting cuproptosis, oxidative stress, and mitochondrial impairments via the activation of sirtuin 7. Int Immunopharmacol 2025 Feb 20:148:114141. PMID: 39930646
Overexpression of endothelin B receptor in glioblastoma: a prognostic marker and therapeutic target?. BMC Cancer 2018 Feb 6;18(1):154.
