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Sitaxentan

Sitaxentan structure

Sitaxentan 

structure
  • CAS No:

    184036-34-8

  • Formula:

    C18H15ClN2O6S2

  • Chemical Name:

    Sitaxentan

  • Synonyms:

    3-Thiophenesulfonamide,N-(4-chloro-3-methyl-5-isoxazolyl)-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]-;3-Thiophenesulfonamide,N-(4-chloro-3-methyl-5-isoxazolyl)-2-[(6-methyl-1,3-benzodioxol-5-yl)acetyl]-;N-(4-Chloro-3-methyl-5-isoxazolyl)-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]-3-thiophenesulfonamide;TBC 11251;N-(4-Chloro-3-methyl-5-isoxazolyl)-2-[[3,4-(methylenedioxy)-6-methylphenyl]acetyl]-3-thiophenesulfonamide;Sitaxentan;N-(4-Chloro-3-methyl-5-isoxazolyl)-2-[(2-methyl-4,5-methylenedioxyphenyl)acetyl]thiophene-3-sulfonamide;IPI 1040;Sitax;N-(4-Chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(6-methyl-2H-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide;210421-64-0

Description

Solid


Sitaxentan is a member of benzodioxoles.|Sitaxentan was marketed under the trade name Thelin for the treatment of pulmonary arterial hypertension (PAH) by Encysive Pharmaceuticals until Pfizer purchased Encysive in February 2008. In 2010, Pfizer voluntarily removed sitaxentan from the market over concerns of hepatotoxicity.

Sitaxentan Basic Attributes

454.90500

454.90

J9QH779MEM

DTXSID0057673

C - Cardiovascular system

Characteristics

144.35000

5.11500

1.6g/cm3

604ºC

316.9ºC

1.687

2.25E-14mmHg at 25°C

Toxicity

99% +

Drug Information

Investigated for use/treatment in pulmonary hypertension, connective tissue diseases, hypertension, and congestive heart failure.

Sitaxentan belongs to a class of drugs known as endothelin receptor antagonists (ERAs). Patients with PAH have elevated levels of endothelin, a potent blood vessel constrictor, in their plasma and lung tissue. Sitaxentan blocks the binding of endothelin to its receptors, thereby negating endothelin's deleterious effects.

Compounds and drugs that bind to and inhibit or block the activation of ENDOTHELIN RECECPTORS. (See all compounds classified as Endothelin Receptor Antagonists.)

70-100%|Renal (50 to 60%) Fecal (40 to 50%)

Hepatic (CYP2C9- and CYP3A4-mediated)

10 hours

Sitaxentan is a competitive antagonist of endothelin-1 at the endothelin-A (ET-A) and endothelin-B (ET-B) receptors. Under normal conditions, endothelin-1 binding of ET-A or ET-B receptors causes pulmonary vasoconstriction. By blocking this interaction, Sitaxentan decreases pulmonary vascular resistance. Sitaxentan has a higher affinity for ET-A than ET-B.

N-(4-chloro-3-methyl-5-isoxazolyl)-2-((4,5-(methylenedioxy)-O-toly)acetyl)-3-thiophenesulfonamide

Computed Properties

Molecular Weight:454.9
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:454.0060062
Monoisotopic Mass:454.0060062
Topological Polar Surface Area:144
Heavy Atom Count:29
Complexity:720
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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