Edonentan

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MedKoo CAT#: 326694

CAS#: 210891-04-6

Description: Edonentan, also known as BMS-207940, is a highly potent and orally active ET(A) selective antagonist. Edonentan is an extremely potent (ET(A) K(i) = 10 pM) and selective (80,000-fold for ET(A) vs ET(B)) antagonist. It is also 150-fold more potent and >6-fold more selective than BMS-193884. The bioavailability of Edonentan was 100% in rats and the systemic clearance and volume of distribution are higher than that of BMS-193884. In rats, intravenous Edonentan blocks big ET pressor responses with 30-fold greater potency than 1. After oral dosing at 3 micromol/kg, Edonentan displays enhanced duration relative to BMS-193884.


Chemical Structure

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Edonentan
CAS# 210891-04-6

Theoretical Analysis

MedKoo Cat#: 326694
Name: Edonentan
CAS#: 210891-04-6
Chemical Formula: C28H32N4O5S
Exact Mass: 536.2093
Molecular Weight: 536.647
Elemental Analysis: C, 62.67; H, 6.01; N, 10.44; O, 14.91; S, 5.97

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Synonym: BMS-207940; BMS207940; BMS 207940; Edonentan

IUPAC/Chemical Name: N-((2'-(((4,5-Dimethyl-3-isoxazolyl)amino)sulfonyl)-4-(2-oxazolyl)(1,1'-biphenyl)-2-yl)methyl)-N,3,3-trimethylbutanamide

InChi Key: ORJRYNKVKJAJPY-UHFFFAOYSA-N

InChi Code: InChI=1S/C28H32N4O5S/c1-18-19(2)37-30-26(18)31-38(34,35)24-10-8-7-9-23(24)22-12-11-20(27-29-13-14-36-27)15-21(22)17-32(6)25(33)16-28(3,4)5/h7-15H,16-17H2,1-6H3,(H,30,31)

SMILES Code: CC(C)(C)CC(N(CC1=CC(C2=NC=CO2)=CC=C1C3=CC=CC=C3S(=O)(NC4=NOC(C)=C4C)=O)C)=O

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 536.647 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: Chopra A. (11)C-BMS-5p and (18)F-FBzBMS: radiolabeled analogs of BMS-207940, a potent and selective antagonist of endothelin receptor subtype A. 2013 Mar 12 [updated 2013 Jun 27]. Molecular Imaging and Contrast Agent Database (MICAD) [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2004-2013. Available from http://www.ncbi.nlm.nih.gov/books/NBK148379/ PubMed PMID: 23833790.

2: Higuchi T, Rischpler C, Fukushima K, Isoda T, Xia J, Javadi MS, Szabo Z, Dannals RF, Mathews WB, Bengel FM. Targeting of endothelin receptors in the healthy and infarcted rat heart using the PET tracer 18F-FBzBMS. J Nucl Med. 2013 Feb;54(2):277-82. doi: 10.2967/jnumed.112.106096. Epub 2013 Jan 11. PubMed PMID: 23315664.

3: Mathews WB, Murugesan N, Xia J, Scheffel U, Hilton J, Ravert HT, Dannals RF, Szabo Z. Synthesis and in vivo evaluation of novel PET radioligands for imaging the endothelin-A receptor. J Nucl Med. 2008 Sep;49(9):1529-36. doi: 10.2967/jnumed.108.051565. Epub 2008 Aug 14. PubMed PMID: 18703610.

4: Shi Y, Huang MH, Macor JE, Hughes DE. Characterization of the in vitro atropisomeric interconversion rates of an endothelin A antagonist by enantioselective liquid chromatography. J Chromatogr A. 2005 Jun 17;1078(1-2):67-73. PubMed PMID: 16007983.

5: Zhou YS, Tay LK, Hughes D, Donahue S. Simulation of the impact of atropisomer interconversion on plasma exposure of atropisomers of an endothelin receptor antagonist. J Clin Pharmacol. 2004 Jul;44(7):680-8. PubMed PMID: 15199072.

6: Murugesan N, Gu Z, Spergel S, Young M, Chen P, Mathur A, Leith L, Hermsmeier M, Liu EC, Zhang R, Bird E, Waldron T, Marino A, Koplowitz B, Humphreys WG, Chong S, Morrison RA, Webb ML, Moreland S, Trippodo N, Barrish JC. Biphenylsulfonamide endothelin receptor antagonists. 4. Discovery of N-[[2'-[[(4,5-dimethyl-3-isoxazolyl)amino]sulfonyl]-4-(2-oxazolyl)[1,1'-biphenyl] - 2-yl]methyl]-N,3,3-trimethylbutanamide (BMS-207940), a highly potent and orally active ET(A) selective antagonist. J Med Chem. 2003 Jan 2;46(1):125-37. PubMed PMID: 12502366.

7: Hulpke-Wette M, Buchhorn R. BMS-193884 and BMS-207940 Bristol-Myers Squibb. Curr Opin Investig Drugs. 2002 Jul;3(7):1057-61. Review. PubMed PMID: 12186267.



Additional Information

Related CAS#
210891-04-6 (Edonentan)
264609-13-4 (Edonentan hydrate)