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Pharmaceuticals and APIs

Aprocitentan

Also known as Tryvio, Macitentan metabolite m6, 5-(4-bromophenyl)-4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-6-(sulfamoylamino)pyrimidine

CAS 1103522-45-7Formula C16H14Br2N6O4SMolar mass 546.20 g/molEC 845-725-0
18 suppliers listed Drug substance
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Aprocitentan chemical structure, C16H14Br2N6O4S, CAS 1103522-45-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1103522-45-7
Formula
C16H14Br2N6O4S
Molar mass
546.20 g/mol
EC number
845-725-0
HS code
293359
Category
Pharmaceuticals and APIs

What is Aprocitentan?

Plain description, key identifiers and synonyms

ACT-132577 is a member of the class of sulfamides in which one of the amino groups of sulfonamide is substituted by a 5-(4-bromophenyl)-6-{2-[(5-bromopyrimidin-2-yl)oxy]ethoxy}pyrimidin-4-yl group. An active metabolite of macitentan (obtained by oxidative depropylation), an orphan drug used for the treatment of pulmonary arterial hypertension. It has a role as an antihypertensive agent, a drug metabolite, an endothelin receptor antagonist and a xenobiotic metabolite. It is an aromatic ether, an organobromine compound, a member of pyrimidines and a member of sulfamides. It is functionally related to an ethylene glycol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-(4-bromophenyl)-4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-6-(sulfamoylamino)pyrimidine
CAS number
1103522-45-7
EC number
845-725-0
Molecular formula
C16H14Br2N6O4S
UNII
MZI81HV01P
MDL number
MFCD28155267
InChIKey
DKULOVKANLVDEA-UHFFFAOYSA-N
InChI
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)
SMILES (canonical and isomeric)
C1=CC(=CC=C1C2=C(N=CN=C2OCCOC3=NC=C(C=N3)Br)NS(=O)(=O)N)Br

Synonyms

  • Tryvio
  • Macitentan metabolite m6
  • 5-(4-bromophenyl)-4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-6-(sulfamoylamino)pyrimidine
  • N-[5-(4-bromophenyl)-6-{2-[(5-bromopyrimidin-2-yl)oxy]ethoxy}pyrimidin-4-yl]sulfuric diamide
  • Sulfamide, N-(5-(4-bromophenyl)-6-(2-((5-bromo-2-pyrimidinyl)oxy)ethoxy)-4-pyrimidinyl)-
  • N-[5-(4-bromophenyl)-6-{2-[(5-bromopyrimidin-2-yl)oxy]ethoxy}pyrimidin-4-yl]aminosulfonamide
  • aprocitentanum
  • 5-(4-bromophenyl)-4-(2-(5-bromopyrimidin-2-yl)oxyethoxy)-6-(sulfamoylamino)pyrimidine
  • N-(5-(4-bromophenyl)-6-(2-((5-bromopyrimidin-2-yl)oxy)ethoxy)pyrimidin-4-yl)aminosulfonamide
  • N-(5-(4-Bromophenyl)-6-(2-((5-bromopyrimidin-2-yl)oxy)ethoxy)pyrimidin-4-yl)sulfuric diamide
  • N-Despropyl Macitentan
  • N-Despropyl-macitentan
  • N-(5-(4-Bromophenyl)-6-(2-((5-bromopyrimidin-2-yl)oxy)ethoxy)pyrimidin-4-yl)sulfamide
  • N-[5-(4-Bromophenyl)-6-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-4-pyrimidinyl]-sulfamide, ACT-132577
  • Tryvio (TN)
  • ACT 132577
  • Aprocitentan (USAN/INN)
  • C16H14Br2N6O4S
  • Aprocitentan (ACT-132577)
  • Aprocitentan (ACT-132577)?
  • WHO 10552
  • N-[5-(4-bromophenyl)-6-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-4-pyrimidinyl]Sulfamide
  • [5-(4-Bromophenyl)-6-[2-[(5-bromo-2-pyrimidinyl)oxy]-ethoxy]-4-pyrimidinyl]sulfamide
  • 5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(sulfamoyl)pyrimidin-4-amine
  • Sulfamide, N-[5-(4-bromophenyl)-6-[2-[(5-bromo-2-pyrimidinyl)oxy] ethoxy]-4-pyrimidinyl]
Show all 27 synonyms
  • N-(5-(4-Bromophenyl)-6-(2-((5-bromo-2-pyrimidinyl)oxy)ethoxy)-4-pyrimidinyl)-sulfamide
  • N-(5-(4-Bromophenyl)-6-(2-((5-bromo-2-pyrimidinyl)oxy)ethoxy)-4-pyrimidinyl)sulfuric diamide

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
546.20 g/molcalc.
Exact mass
543.9164 Dacalc.
LogP (octanol/water)
2.53calc.
Topological polar surface area
142.2 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
8calc.
Heavy atoms
29calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.13calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccc(-c2cncnc2OCCOc2ncccn2)cc1

c1ccc(-c2cncnc2OCCOc2ncccn2)cc1

3 rings, 22 atoms.

18 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Aprocitentan suppliers

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All 18 suppliers
18 of 18 offers

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Where suppliers are based

18 suppliers in 4 countries

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Aprocitentan price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Roles

  • animal metabolite
  • antagonist
  • antihypertensive agent
  • cardiovascular drug
  • drug metabolite
  • endothelin receptor antagonist
  • eukaryotic metabolite
  • hormone antagonist
  • hormone receptor modulator
  • human metabolite
  • human xenobiotic metabolite
  • mammalian metabolite
  • metabolite
  • pharmaceutical
  • protective agent
  • receptor modulator
  • renoprotective agent
  • xenobiotic metabolite

Pharmacology

Aprocitentan is an Endothelin Receptor Antagonist. The mechanism of action of aprocitentan is as an Endothelin Receptor Antagonist.

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • Active ingredient in FDA approved drug labels

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Aprocitentan is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Aprocitentan is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Aprocitentan, based on the data on this page

What is Aprocitentan?

ACT-132577 is a member of the class of sulfamides in which one of the amino groups of sulfonamide is substituted by a 5-(4-bromophenyl)-6-{2-[(5-bromopyrimidin-2-yl)oxy]ethoxy}pyrimidin-4-yl group.

What is the CAS number of Aprocitentan?

The CAS registry number of Aprocitentan is 1103522-45-7.

What is the molecular formula and weight of Aprocitentan?

The molecular formula of Aprocitentan is C16H14Br2N6O4S and its molar mass is 546.20 g/mol.

What is Aprocitentan used for?

Known uses and roles of Aprocitentan include animal metabolite, antagonist, antihypertensive agent, cardiovascular drug, drug metabolite and 13 more.

Is Aprocitentan hazardous?

No GHS hazard classification for Aprocitentan is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Aprocitentan?

Aprocitentan is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Aprocitentan?

CompoundList lists 18 suppliers of Aprocitentan in China, United States, Czech Republic and Israel. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Aprocitentan?

Suppliers quote Aprocitentan on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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