CAS 210891-04-6 Edonentan

Edonentan - CAS 210891-04-6

Catalog number: 210891-04-6

Not Intended for Therapeutic Use. For research use only.

Molecular Formula:
Molecular Formula	C28H32N4O5S
Molecular Weight:
Molecular Weight	536.64
COA:
COA	Inquire
Targets:
Targets	Endothelin Receptor
Description:
Description	Edonentan, also known as BMS-207940, is a very potent and selective ETA endothelin receptor antagonist (Ki= 10 pM) that shows 80000-fold selective for ETA vs ETB.

Publication citing BOC Sciences Products

1. Kinetic Study of the Oxidation of Hydrogen Sulfide by Fe (III)-Tetrapolyphosphate (TPP) and Fe (II)-TPP by O2

2. Probing nanomechanical interaction at the interface between biological membrane and potentially toxic chemical

3. Catalytic hydrogenation and hydrodeoxygenation of lignin-derived model compound eugenol over Ru/C: intrinsic microkinetics and transport phenomena

4. Effects of hypercapnia on T cells in lung ischemia/reperfusion injury after lung transplantation

5. Comparative analysis of binding kinetics and thermodynamics of dipeptidyl peptidase-4 inhibitors and their relationship to structure

6. Gelation and decrystallization of cellulose by TAAHs/DMSO treatment and the role of anions and cations

>> More

Purity:
Purity	95%
Appearance:
Appearance	Solid powder
Synonyms:
Synonyms	N-[[2-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N,3,3-trimethylbutanamide; Edonentan; UNII-S5016F5ZH4 ;CHEMBL383581; 210891-04-6; UNII-2CCC8CH216; Edonentan[INN]； 210891-04-6 (Edonentan); 264609-13-4 (Edonentan hydrate)
MSDS:
MSDS	Inquire

Quantity:
Quantity	Data not available, please inquire.
InChIKey:
InChIKey	ORJRYNKVKJAJPY-UHFFFAOYSA-N
InChI:
InChI	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)
Canonical SMILES:
Canonical SMILES	CC1=C(ON=C1NS(=O)(=O)C2=CC=CC=C2C3=C(C=C(C=C3)C4=NC=CO4)CN(C)C(=O)CC(C)(C)C)C

1.Synthesis and in vivo evaluation of novel PET radioligands for imaging the endothelin-A receptor.

Mathews WB;Murugesan N;Xia J;Scheffel U;Hilton J;Ravert HT;Dannals RF;Szabo Z J Nucl Med. 2008 Sep;49(9):1529-36. doi: 10.2967/jnumed.108.051565. Epub 2008 Aug 14.

The endothelin subtype-A (ETA) receptor is a member of a family of G-protein-coupled receptors that plays a central role in vasoconstriction, cell proliferation, and hormone production. The aim of this study was to synthesize and evaluate in vivo (11)C- and (18)F-labeled analogs of the potent and selective ETA antagonist N-[[2'-[[(4,5-dimethyl-3-isoxazolyl)amino]sulfonyl]-4-(2-oxazolyl)[1,1'-biphenyl]-2-yl]methyl]-N,3,3-trimethylbutanamide (BMS-207940).;METHODS: ;Protected precursors and authentic nonradioactive standards were synthesized by reductive amination and subsequent alkylation of protected aldehyde 1. Desmethyl precursor 2 was reacted with (11)C-methyl iodide followed by deprotection and high-performance liquid chromatography purification to produce (11)C-(N-[[2'-[[(4,5-dimethyl-3-isoxazolyl)amino]sulfonyl]-4-(2-oxazolyl)[1,1'-biphenyl]-2-yl]methyl]-N,1-methylindolecarboxamide) ((11)C-BMS-5p) 3. Nitro precursor 4 was reacted with (18)F-fluoride and purified by high-performance liquid chromatography to produce (18)F-(N-[[2'-[[(4,5-dimethyl-3-isoxazolyl)amino]sulfonyl]-4-(2-oxazolyl)[1,1'-biphenyl]-2-yl]methyl]-N,4-fluorobenzamide) ((18)F-FBzBMS) 5. Biodistribution was determined by injecting male CD-1 mice via the tail vein with either (11)C-BMS-5p 3 or (18)F-FBzBMS 5.

2.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.

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 J Med Chem. 2003 Jan 2;46(1):125-37.

We have previously disclosed the selective ET(A) receptor antagonist N-(3,4-dimethyl-5-isoxazolyl)-4'-(2-oxazolyl)[1,1'-biphenyl]-2-sulfonamide (1, BMS-193884) as a clinical development candidate. Additional SAR studies at the 2'-position of 1 led to the identification of several analogues with improved binding affinity as well as selectivity for the ET(A) receptor. Following the discovery that a 3-amino-isoxazole group displays significantly improved metabolic stability in comparison to its 5-regioisomer, the 3-amino-isoxazole group was combined with the optimal 2'-substituent leading to 16a (BMS-207940). Compound 16a 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 1. The bioavailability of 16a was 100% in rats and the systemic clearance and volume of distribution are higher than that of 1. In rats, intravenous 16a blocks big ET pressor responses with 30-fold greater potency than 1. After oral dosing at 3 micromol/kg, 16a displays enhanced duration relative to 1.

Molecular Weight Calculator Molarity Calculator Solution Dilution Calculator

Related Endothelin Receptor Products

A 127722
(CAS: 195704-72-4)

A 127722 is a potent and selective ETA endothelin receptor antagonist (IC50 = 0.11 nM and 98 nM for human ETA and ETB receptors, respectively). It attenuates hy...

Sitaxentan sodium
(CAS: 210421-74-2)

Sitaxentan sodium inhibits ET-1-induced stimulation of phosphoinositide turnover with a Ki of 0.69 nM and a pA2 of 8.0.

N-Despropyl-macitentan
(CAS: 1103522-45-7)

N-Despropyl-macitentan, an active metabolite of Macitentan, is a dual ET receptor antagonist with longer half-life than Macitentan. It has been proved to be eff...

Tezosentan
(CAS: 180384-57-0)

Tezosentan, also known as RO 610612 and Veletri, is a potent dual endothelian (ETA/ETB) receptor antagonist optimized from Bosentan (B675900). It acts as a vaso...

Sarafotoxin S6c
(CAS: 121695-87-2)

Sarafotoxin S6c is a highly selective ETB endothelin receptor agonist (Ki = 0.29 and 28000 nM at ETB and ETA receptors, respectively).

Atrasentan
(CAS: 173937-91-2)

atrasentan hydrochloride is the orally available hydrochloride salt of pyrrolidine-3-carboxylic acid with potential antineoplastic activity. As a selective anta...

CAS 195733-43-8 Atrasentan hydrochloride

Atrasentan hydrochloride
(CAS: 195733-43-8)

Atrasentan hydrochloride is the hydrochloride salt form of Atrasentan. Atrasentan, also called as ABT-627, is a selective and orally available antagonist of ETA...

BMS-248360
(CAS: 254737-87-6)

BMS-248360 is a first orally active generation dual action receptor antagonist. BMS-248360 antagonized both Ang II AT1 and endothelin ETA receptors (AT1 IC50 = ...

BMS 182874
(CAS: 153042-42-3)

BMS 182874 is an endothelin receptor antagonist used as an antihypertensive agent.

BQ 788 sodium salt
(CAS: 156161-89-6)

BQ 788 sodium salt is a potent, selective ETB receptor antagonist (IC50 = 1.2 nM) without significant activity on ETA receptor (IC50= 1300 nM).

BMS-187308
(CAS: 153624-15-8)

BMS-187308, a sulfonamide derivative, has been found to be an endothelin-A (ETA) antagonist that was once studied about its activity against pressor effect in r...

Macitentan n-butyl analogue
(CAS: 556797-16-1)

Macitentan n-butyl analogue is a derivative of Macitentan, which is an antagonist/blocker of endothelin receptors on blood vessels and smooth muscle.

Ambrisentan
(CAS: 177036-94-1)

Ambrisentan, a highly selective antagonist of the endothelin-1 type A receptor with IC50 of 18 nM, is indicated for the treatment of pulmonary arterial hyperten...

Sparsentan
(CAS: 254740-64-2)

Sparsentan, also known as RE-021, BMS346567, is a dual antagonist of both angiotensin II and endothelin A receptor antagonist.

RO462005
(CAS: 150725-87-4)

RO462005 is an endothelin receptor selective agonist.

CAS 117399-94-7 Endothelin 1 swine, human

Endothelin 1 swine, human
(CAS: 117399-94-7)

Endothelin 1 (swine, human), a vasoconstrictor increased in plasma and explants of patients with uterine leiomyomas, is a synthetic peptide with the sequence of...

Sarafotoxin S6a
(CAS: 126738-34-9)

Sarafotoxin S6a is an endothelin receptor agonist (EC50 = 7.5 and > 150 nM for contraction of pig coronary artery and guinea pig aorta, respectively).

Bosentan
(CAS: 147536-97-8)

Bosentan is an endothelin (ET) receptor antagonist for ET-A and ET-B with Ki of 4.7 nM and 95 nM, respectively.

BMS-193884
(CAS: 176960-47-7)

BMS-193884, an oxazol derivative, has been found to be an endothelin A receptor antagonist and was once studied in the treatmen of heart failure.

SB-209670
(CAS: 157659-79-5)

SB-209670 has been found to be an endothelin receptor antagonist that was once studied against arrhythmias and hypertension.

Chemical Structure

Quick Inquiry

Name:

* Email:

* Service & Products of Interest:

* Quantity:

Referral Code:

* Verification code:

Related Endothelin Receptor Products

Quick Inquiry

Featured Items

Drug Discovery

Chemistry

Life Science