Ambrisentan

HCID 6918493

Grundinformationen

CAS
177036-94-1
Standard-SMILES
COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O
InChIKey
OUJTZYPIHDYQMC-LJQANCHMSA-N
Summenformel
C22H22N2O4
Durchschnittliche Molmasse
378,4 g/mol
Monoisotopische Masse
378,15795718

Überblick

Ambrisentan is a diarylmethane.

Namen und Bezeichner

Bevorzugter Name
Ambrisentan
IUPAC
(2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenylpropanoic acid
Englischer Name
Ambrisentan
Summenformel
C22H22N2O4
Molmasse
378.42

Namen und Synonyme

Ambrisentan177036-94-1LetairisVolibrisLU-208075BSF-208075DTXSID4046282HW6NV07QECGSK1325760AGSK-1325760AGSK1325760GSK-1325760
Weitere Namen anzeigen
2-(4,6-Dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-di(phenyl)propanoic acidAnilastatinCS-135LU 208075BSF 208075AnlisentanAbe ShengtanAnlishengtanAnrisentan API
DTXCID2026282(2s)-2-[(4,6-dimethylpyrimidin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoic acid(+-)-(2S)-2-((4,6-Dimethylpyrimidin-2-yl)oxy)-3-methoxy-3,3-diphenylpropanoic acid(+)-(2S)-2-((4,6-dimethylpyrimidin-2-yl)oxy)-3-methoxy-3,3-diphenylpropanoic acid(+)-(2s)-2-[(4,6-dimethylpyrimidin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoic acid(2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-di(phenyl)propanoic acidambrisentanumPulmonext

Datenbank-Bezeichner

CAS
177036-94-1
PubChem CID
6918493
DTXSID
DTXSID4046282
ChEMBL
CHEMBL1111
ChEBI
CHEBI:135949
UNII
HW6NV07QEC
EC Number
658-059-9
Nikkaji
J2.651.033C

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,8
Polarare Oberfläche (TPSA)
81,5 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
6
Frei drehbare Bindungen
7
Schwere Atome
28

Experimentelle und physikochemische Eigenschaften

Drugs · 2 Einträge

Pharmaceuticals -> Listed in ZINC15

Pharmaceuticals -> Antihypertensives

SolubilityAmbrisentan is practically insoluble in aqueous solutions at low pH. Solubility increases at higher pH.
Human Drugs · 5 Einträge

Breast Feeding; Lactation; Milk, Human; Antihypertensive Agents; Cardiovascular Agents; Vasodilator Agents

FDA approved drugs -> Active ingredient

EMA approved medicines: Human medicine

EMA approved medicines: Human medicine

FDA approved drugs -> Active ingredient

Melting Point165-168 °C
Dissociation Constants4.0

Physikochemische Eigenschaften

Schmelzpunkt
150 °C · >150°C (dec.)
Siedepunkt
551.1 · 551.1±60.0 °C(Predicted)
Dichte
1.228 · 1.228±0.06 g/cm3(Predicted)
storage temp.
2 · Sealed in dry,2-8°C
Löslichkeit
DMSO (Slightly), Methanol (Slightly)
Aggregatzustand
Solid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H351 (33.3%): Suspected of causing cancer [Warning Carcinogenicity]

P203, P260, P264, P270, P280, P318, P319, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesRepr. 1A (66.7%)

Toxikologische Informationen

Hepatotoxicity · 1 Eintrag

Ambrisentan is associated with a low rate of serum aminotransferase elevations (0% to 3%) that in clinical trials was similar to the rate in placebo recipients. These elevations are usually mild (rarely above 3 times ULN), transient and not associated with symptoms. For these reasons, monthly monitoring of serum aminotransferase levels is no longer routinely recommended during ambrisentan therapy.

Drug Induced Liver Injury · 6 Einträge

Drug Induced Liver Injury Rank (DILIrank 2.0)

Ambrisentan

Ambiguous-DILI-concern

7

Adverse reactions

DOI:10.1016/j.drudis.2016.02.015

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation

Sicherheitsdaten

wgk
WGK 3
hs_code
29335990
RTECS-Nr.
UA2459660
risk_code
62/63
safety_code
53-36/37/39-45
Speicherklasse
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

Chemie und Industrie

Pharmakologische Informationen

ATC Code · 3 Einträge

C02KX02

C - Cardiovascular system

QC - Cardiovascular system

Protein BindingAmbrisentan is 99% plasma protein bound, primarily to albumin (96.5%) and to a lesser degree alpha1-acid glycoprotein.
Pharmacodynamics · 1 Eintrag

Ambrisentan 10 mg daily had no significant effect on the QTc interval, whereas a 40 mg daily dose of ambrisentan increased mean QTc at tmax by 5 ms with an upper 95% confidence limit of 9 ms. Significant QTc prolongation is not expected in patients taking ambrisentan without concomitant metabolic inhibitors. Plasma concentrations of B-type natriuretic peptide (BNP) in patients who received ambrisentan for 12 weeks were significantly decreased. Two Phase III placebo-controlled studies demonstrated a decrease in BNP plasma concentrations by 29% in the 2.5 mg group, 30% in the 5 mg group, and 45% in the 10 mg group (p < 0.001 for each dose group) and an increase by 11% in the placebo group.

Mechanism of Action · 1 Eintrag

Endothelin-1 (ET-1) is an endogenous peptide that acts on the endothelin type A (ETA) and endothelin type B (ETB) receptors in vascular smooth muscle and endothelium. ETA-mediated actions include vasoconstriction and cell proliferation, whereas ETB predominantly mediates vasodilation, anti-proliferation, and ET-1 clearance. In patients with pulmonary arterial hypertension, ET-1 levels are increased and correlate with increased right arterial pressure and severity of disease. Ambrisentan is one of several newly developed vasodilator drugs that selectively target the endothelin type A (ETA) receptor, inhibiting its action and preventing vasoconstriction. Selective inhibition of the ETA receptor prevents phospholipase C-mediated vasoconstriction and protein kinase C-mediated cell proliferation. Endothelin type B (ETB) receptor function is not significantly inhibited, and nitric oxide and prostacyclin production, cyclic GMP- and cyclic AMP-mediated vasodilation, and endothelin-1 (ET-1) clearance is preserved.

Biological Half-LifeAmbrisentan has a terminal half-life of 15 hours. It is thought that steady state is achieved after around 4 days of repeat-dosing.
Metabolism/Metabolites · 1 Eintrag

Ambrisentan is a metabolized primarily by uridine 5’-diphosphate glucuronosyltransferases (UGTs) 1A9S, 2B7S,1A3S to form ambrisentan glucuronide. Ambrisentan is also metabolized to a lesser extent by CYP3A4, CYP3A5 and CYP2C19 to form 4- hydroxymethyl ambrisentan which is further glucuronidated to 4-hydroxymethyl ambrisentan glucuronide.

Anwendungen · 2 Einträge

BeschreibungAmbrisentan is a selective endothelin-A (ETA) receptor antagonist introduced for the oral treatment of patients with pulmonary arterial hypertension (PAH), to improve exercise capacity and delay clinical worsening. It is the third ET-receptor antagonist to be marketed for this indication behind bosentan and sitaxsentan. PAH is a rare disease of the small pulmonary arteries characterized by vascular proliferation and remodeling, resulting in a progressive increase in pulmonary vascular resistance and pulmonary arterial pressure, and ultimately, right ventricular failure and premature death. Early symptoms of PAH include gradual onset of shortness of breath, fatigue, palpitation, edema, and fainting. Endothelin-1 (ET-1), a potent vasoconstrictor and smooth muscle mitogen, is a key contributor to the acceleration of the disease, and its effects are mediated through activation ofETA and ETB receptors.

VerwendenNonpeptide endothelin ETA receptor antagonist. Antihypertensive

Anbieter100 Anbieter

北京华美互利生物化工010-56205725 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
山东孔府制药有限公司0537-4442222 18854777456 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
上海波以尔化工有限公司[email protected]

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