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ACT-132577

ACT-132577 structure

CAS No:
1103522-45-7
Formula:
C16H14Br2N6O4S
Chemical Name:
ACT-132577
Synonyms:
ACT-132577;N-[5-(4-Bromophenyl)-6-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-4-pyrimidinyl]sulfamide;N-Despropyl Macitentan;Aprocitentan;Despropyl Macitentan
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

ACT-132577 is the major and pharmacologically active metabolite of macitentan, which is dual ETA/ETB antagonist designed for tissue targeting.

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, an endothelin receptor antagonist, a drug metabolite and a xenobiotic metabolite. It is an aromatic ether, an organobromine compound, a member of pyrimidines and a member of sulfamides. It derives from an ethylene glycol.|Aprocitentan is under investigation in clinical trial NCT03541174 (A Research Study to Show the Effect of Aprocitentan in the Treatment of Difficult to Control (Resistant) High Blood Pressure (Hypertension) and Find Out More About Its Safety).

ACT-132577 Basic Attributes

Molecular Weight：

546.19316

Exact Mass：

543.91600

UNII：

MZI81HV01P

Characteristics

PSA：

150.59000

XLogP3：

4.38590

Density：

1.841±0.06 g/cm3(Predicted)

Boiling Point：

705.0±70.0 °C(Predicted)

Drug Information

Drug Indication：

Treatment of hypertension

MeSH Entry Terms：

ACT-132577

ACT-132577 Use and Manufacturing

Use Classification：

Human Drugs -> EU pediatric investigation plans

Computed Properties

Molecular Weight:546.2
XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:8
Exact Mass:545.91435
Monoisotopic Mass:543.91640
Topological Polar Surface Area:151
Heavy Atom Count:29
Complexity:597
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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