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MedKoo Cat#: 326694 | Name: Edonentan

Description:

WARNING: This product is for research use only, not for human or veterinary use.

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

Edonentan
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: 536.65

Elemental Analysis: C, 62.67; H, 6.01; N, 10.44; O, 14.91; S, 5.97

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
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
More Info
Related CAS# 210891-04-6 (Edonentan) 264609-13-4 (Edonentan hydrate)

Preparing Stock Solutions

The following data is based on the product molecular weight 536.65 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
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.