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Sitaxsentan (sodium)

CAT: 0804-HY-11103-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-11103-01Size:5 mg
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Description
Sitaxsentan sodium (IPI 1040 sodium; TBC11251 sodium) is a potent, selective and orally activeendothelin A receptor (ETA) antagonist with an IC50 of 1.4 nM and a Ki of 0.43 nM. Sitaxsentan sodium exhibits an IC50 for the ETB receptor of as high as 9800 nM. Sitaxsentan sodium inhibits ET-1-induced phosphoinositide turnover. Sitaxsentan sodium can significantly alleviate pulmonary arterial hypertension (PAH) symptoms. Sitaxsentan sodium can be used for the study of PAH[1][2][3][4][5].
CAS Number
210421-74-2
Product Name Alternative
IPI 1040 (sodium) ; TBC11251 (sodium)
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Endothelin Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein
Applications
COVID-19-immunoregulation
Field of Research
Cardiovascular Disease; Endocrinology
Assay Protocol
https://www.medchemexpress.com/Sitaxsentan-sodium.html
Purity
98.83
Solubility
DMSO : 100 mg/mL (ultrasonic) |H2O : 100 mg/mL (ultrasonic)
Smiles
O=S(C1=C(SC=C1)C(CC2=C(C=C3OCOC3=C2)C)=O)(N([Na])C4=C(C(C)=NO4)Cl)=O
Molecular Formula
C18H14ClN2NaO6S2
Molecular Weight
476.89
Precautions
H302, H315, H319, H335
References & Citations
[1]Hartman JC, et al. Evaluation of the endothelin receptor antagonists ambrisentan, darusentan, bosentan, and sitaxsentan as substrates and inhibitors of hepatobiliary transporters in sandwich-cultured human hepatocytes. Can J Physiol Pharmacol. 2010 Jun;88|[2]Tilton RG, et al. Attenuation of pulmonary vascular hypertension and cardiac hypertrophy with sitaxsentan sodium, an orally active ET (A) receptor antagonist. Pulm Pharmacol Ther. 2000;13 (2) :87-97.|[3]Rondelet B, et al. Sildenafil added to sitaxsentan in overcirculation-induced pulmonary arterial hypertension. Am J Physiol Heart Circ Physiol. 2010 Oct;299 (4) :H1118-23. Epub 2010 Aug 6.|[4]Lepist EI, et al. Evaluation of the endothelin receptor antagonists ambrisentan, bosentan, macitentan, and sitaxsentan as hepatobiliary transporter inhibitors and substrates in sandwich-cultured human hepatocytes. PLoS One. 2014 Jan 30;9 (1) :e87548. |[5]Wu C, et al. Discovery of TBC11251, a potent, long acting, orally active endothelin receptor-A selective antagonist. J Med Chem. 1997 May 23;40 (11) :1690-7.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
Launched
Isoform
ETB

Chemical Information

Sitaxentan Sodium

See also: Sitaxentan (has active moiety).

CAS Number210421-74-2
PubChem CID11477084
IUPAC Namesodium (4-chloro-3-methyl-1,2-oxazol-5-yl)-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophen-3-yl]sulfonylazanide
Molecular FormulaC18H14ClN2NaO6S2
Molecular Weight476.9
Topological Polar Surface Area133
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity726
SMILES
CC1=CC2=C(C=C1CC(=O)C3=C(C=CS3)S(=O)(=O)[N-]C4=C(C(=NO4)C)Cl)OCO2.[Na+]
InChI
InChI=1S/C18H14ClN2O6S2.Na/c1-9-5-13-14(26-8-25-13)7-11(9)6-12(22)17-15(3-4-28-17)29(23,24)21-18-16(19)10(2)20-27-18;/h3-5,7H,6,8H2,1-2H3;/q-1;+1
InChIKey
MDTNUYUCUYPIHE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sitaxentan Sodium
CAS: 210421-74-2
CID: 11477084
Formula: C18H14ClN2NaO6S2
MW: 476.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass475.9879505
Monoisotopic Mass475.9879505
Topological Polar Surface Area133 Ų
Heavy Atom Count30
Formal Charge0
Complexity726
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-215857Sitaxsentan Sodium
sc-220107Sitaxsentan-13C4 Sodium
MBS132550-01Sitaxsentan sodium (TBC-11251)
A11564-10mM-DSitaxsentan sodium 10mM * 1mL in DMSO
A11564-100Sitaxsentan sodium (TBC-11251) 100mg
A11564-50Sitaxsentan sodium (TBC-11251) 50mg
A11564-200Sitaxsentan sodium (TBC-11251) 200mg
A11564-25Sitaxsentan sodium (TBC-11251) 25mg
A11564-10Sitaxsentan sodium (TBC-11251) 10mg
A11564-5Sitaxsentan sodium (TBC-11251) 5mg

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