| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| 10mg |
|
||
| 25mg |
|
||
| Other Sizes |
Aprocitentan D4 (ACT132577 D4; ACT-132577 D4) is the tetra-deuterate form of Aprocitentan, which is a major active metabolite of Macitentan (a dual ETA/ETB antagonist).
| ln Vitro |
The ET-1-induced rise in intracellular calcium in non-recombinant cells (primary human lung smooth muscle cells, rat aortic smooth muscle cell line A10, and mouse fibroblast cell line 3T3) is entirely inhibited by aproticitentan (ACT-132577) [1].
|
|---|---|
| ln Vivo |
Aprocitentan (ACT-132577) has a longer half-life than its parent chemical and a volume of distribution larger than rats' plasma volumes [1]. The average recovery of Aprocitentan (ACT-132577) in rat plasma ranged from 82.6% to 90.6%, whereas its matrix effect in rat plasma varied from 101.4% to 115.2% [2].
|
| Toxicity/Toxicokinetics |
Effects During Pregnancy and Lactation
◉ Overview of Use During Lactation There is currently no information regarding the clinical use of apraciltan during lactation. Because apraciltan binds to plasma proteins at a rate exceeding 99%, its concentration in breast milk is likely to be low. However, its half-life is 41 hours, which may allow it to accumulate in the infant. Since there is currently no information regarding the use of apraciltan during lactation, alternative medications are recommended, especially for breastfed newborns or premature infants. ◉ Effects on Breastfed Infants No published information was found as of the revision date. ◉ Effects on Lactation and Breast Milk No published information was found as of the revision date. |
| References |
|
| Additional Infomation |
ACT-132577 belongs to the sulfonamide class of compounds, in which one amino group of the sulfonamide group is replaced by 5-(4-bromophenyl)-6-{2-[(5-bromopyrimidin-2-yl)oxy]ethoxy}pyrimidin-4-yl. It is the active metabolite of macitentan (an orphan drug for the treatment of pulmonary arterial hypertension, prepared by oxidative depropanolization). ACT-132577 has multiple functions, including antihypertensive activity, endothelin receptor antagonism, drug metabolism, and exogenous substance metabolism. It is an aromatic ether, an organic bromine compound, belonging to the pyrimidine and sulfonamide classes. Functionally, it is related to ethylene glycol. Apraceptan is currently being investigated in the clinical trial NCT03541174 (a study aimed at demonstrating the efficacy of apraceptan in treating refractory hypertension and further understanding its safety).
Drug Indications Treatment of hypertension |
| Molecular Formula |
C₁₆H₁₀D₄BR₂N₆O₄S
|
|---|---|
| Molecular Weight |
550.22
|
| Exact Mass |
543.916
|
| CAS # |
1103522-45-7
|
| Related CAS # |
Aprocitentan-d4
|
| PubChem CID |
25099191
|
| Appearance |
White to off-white solid powder
|
| LogP |
4.385
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
10
|
| Rotatable Bond Count |
8
|
| Heavy Atom Count |
29
|
| Complexity |
597
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
0
|
| InChi Key |
DKULOVKANLVDEA-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C16H14Br2N6O4S/c17-11-3-1-10(2-4-11)13-14(24-29(19,25)26)22-9-23-15(13)27-5-6-28-16-20-7-12(18)8-21-16/h1-4,7-9H,5-6H2,(H2,19,25,26)(H,22,23,24)
|
| Chemical Name |
5-(4-bromophenyl)-4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-6-(sulfamoylamino)pyrimidine
|
| 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 : ~25 mg/mL (~45.77 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.58 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 (4.58 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.8175 mL | 9.0873 mL | 18.1745 mL | |
| 5 mM | 0.3635 mL | 1.8175 mL | 3.6349 mL | |
| 10 mM | 0.1817 mL | 0.9087 mL | 1.8175 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
