Sitaxentan sodium
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MedKoo CAT#: 317137

CAS#: 210421-74-2 (sodium salt)

Description: Sitaxentan, also known as TBC-11251 and IPI 1040, is a medication for the treatment of pulmonary arterial hypertension (PAH). It was marketed as Thelin. In 2010, Pfizer voluntarily removed sitaxentan from the market due to concerns about liver toxicity. Sitaxentan is a small molecule that blocks the action of endothelin (ET) on the endothelin-A (ETA) receptor selectively (by a factor of 6000 compared with the ETB).


Chemical Structure

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Sitaxentan sodium
CAS# 210421-74-2 (sodium salt)

Theoretical Analysis

MedKoo Cat#: 317137
Name: Sitaxentan sodium
CAS#: 210421-74-2 (sodium salt)
Chemical Formula: C18H14ClN2NaO6S2
Exact Mass:
Molecular Weight: 476.88
Elemental Analysis: C, 45.34; H, 2.96; Cl, 7.43; N, 5.87; Na, 4.82; O, 20.13; S, 13.45

Price and Availability

Size Price Availability Quantity
50.0mg USD 350.0 2 Weeks
100.0mg USD 650.0 2 Weeks
200.0mg USD 950.0 2 Weeks
500.0mg USD 1650.0 2 Weeks
1.0g USD 2650.0 2 Weeks
2.0g USD 4650.0 2 Weeks
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Synonym: TBC-11251; TBC11251; TBC 11251; TBC-11251 sodium salt, Thelin; Sitaxentan sodium

IUPAC/Chemical Name: sodium (4-chloro-3-methylisoxazol-5-yl)((2-(2-(6-methylbenzo[d][1,3]dioxol-5-yl)acetyl)thiophen-3-yl)sulfonyl)amide

InChi Key: MDTNUYUCUYPIHE-UHFFFAOYSA-N

InChi Code: 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

SMILES Code: O=C(C(SC=C1)=C1S(N([Na])C2=C(C(C)=NO2)Cl)(=O)=O)CC3=C(C)C=C(OCO4)C4=C3

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO, not in water

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 476.88 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1: Dhaun N, Yuzugulen J, Kimmitt RA, Wood EG, Chariyavilaskul P, MacIntyre IM, Goddard J, Webb DJ, Corder R. Plasma pro-endothelin-1 peptide concentrations rise in chronic kidney disease and following selective endothelin A receptor antagonism. J Am Heart Assoc. 2015 Mar 23;4(3):e001624. doi: 10.1161/JAHA.114.001624. PubMed PMID: 25801761; PubMed Central PMCID: PMC4392442.

2: Cross DM, Horsley E, Derzi M, Owen K, Stavros FL. An evaluation of reproductive and developmental toxicity of sitaxentan (thelin) in rats. Birth Defects Res B Dev Reprod Toxicol. 2012 Oct;95(5):327-36. doi: 10.1002/bdrb.21021. Epub 2012 Aug 13. PubMed PMID: 22890981.

3: Tomillero A, Moral MA. Gateways to clinical trials. Methods Find Exp Clin Pharmacol. 2010 May;32(4):247-88. doi: 10.1358/mf.2010.32.4.1507200. PubMed PMID: 20508873.

4: Tomillero A, Moral MA. Gateways to clinical trials. Methods Find Exp Clin Pharmacol. 2010 Jan-Feb;32(1):47-86. PubMed PMID: 20383346.

5: Stavros F, Kramer WG, Wilkins MR. The effects of sitaxentan on sildenafil pharmacokinetics and pharmacodynamics in healthy subjects. Br J Clin Pharmacol. 2010 Jan;69(1):23-6. doi: 10.1111/j.1365-2125.2009.03541.x. PubMed PMID: 20078609; PubMed Central PMCID: PMC2805874.

6: Agard C, Haloun A, Hamidou MA. [Pulmonary arterial hypertension related to systemic sclerosis in 2008]. J Mal Vasc. 2009 Feb;34(1):7-15. doi: 10.1016/j.jmv.2008.10.008. Epub 2008 Dec 9. Review. French. PubMed PMID: 19081217.

7: Moral MA, Tomillero A. Gateways to clinical trials. Methods Find Exp Clin Pharmacol. 2008 Mar;30(2):149-71. PubMed PMID: 18560631.



Additional Information

Related CAS#
CAS#210421-74-2 (Sitaxentan sodium salt)
CAS#184036-34-8 (Sitaxentan free)