EDONENTAN ANHYDROUS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H32N4O5S
Molecular Weight	536.642
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN(CC1=CC(=CC=C1C2=C(C=CC=C2)S(=O)(=O)NC3=NOC(C)=C3C)C4=NC=CO4)C(=O)CC(C)(C)C

InChI

InChIKey=ORJRYNKVKJAJPY-UHFFFAOYSA-N

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)

HIDE SMILES / InChI

Molecular Formula	C28H32N4O5S
Molecular Weight	536.642
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/12502366 | https://www.ncbi.nlm.nih.gov/pubmed/12186267 | https://www.ncbi.nlm.nih.gov/pubmed/18703610 | https://adisinsight.springer.com/drugs/800015788

Edonentan (BMS 207940) is a highly selective biphenylsulfonamide endothelin A receptor antagonist. (11)C- and (18)F-labeled analogs of edonentan were evaluated of novel PET radioligands for imaging the endothelin-A receptor. Edonentan was in clinical trials for the treatment of heart failure however its development has been discontinued.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Endothelin-1 receptor 6 Target ID: P25101\|\|\|Q16433 Gene ID: 1909.0 Gene Symbol: EDNRA Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/12502366	Antagonist 2778		10.0 pM [Ki]

PubMed

Title	Date	PubMed
Characterization of the in vitro atropisomeric interconversion rates of an endothelin A antagonist by enantioselective liquid chromatography.	2005 Jun 17	16007983
Synthesis and in vivo evaluation of novel PET radioligands for imaging the endothelin-A receptor.	2008 Sep	18703610

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:42:04 GMT 2023` Edited by `admin` on `Fri Dec 15 15:42:04 GMT 2023`
Record UNII	S5016F5ZH4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EDONENTAN ANHYDROUS

Common Name

English

BUTANAMIDE, N-((2'-(((4,5-DIMETHYL-3-ISOXAZOLYL) AMINO)SULFONYL)-4-(2-OXAZOLYL) (1,1'-BIPHENYL)-2-YL)METHYL)-N,3,3-TRIMETHYL-

Common Name

English

edonentan [INN]

Common Name

English

N-(2-(2-((4,5-DIMETHYLISOXAZOL-3-YL)SULFAMOYL)PHENYL)-5-(OXAZOL-2-YL)BENZYL)-N,3,3-TRIMETHYLBUTANAMIDE

Systematic Name

English

BMS-207940

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C29707