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
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)
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 |
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 |
---|---|---|---|
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 |
10.0 pM [Ki] |
PubMed
Title | Date | PubMed |
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Simulation of the impact of atropisomer interconversion on plasma exposure of atropisomers of an endothelin receptor antagonist. | 2004 Jul |
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Characterization of the in vitro atropisomeric interconversion rates of an endothelin A antagonist by enantioselective liquid chromatography. | 2005 Jun 17 |
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Synthesis and in vivo evaluation of novel PET radioligands for imaging the endothelin-A receptor. | 2008 Sep |
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:42:04 GMT 2023
by
admin
on
Fri Dec 15 15:42:04 GMT 2023
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Record UNII |
S5016F5ZH4
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Record Status |
Validated (UNII)
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Record Version |
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NCI_THESAURUS |
C29707
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210891-04-6
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156690
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C76587
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8178
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S5016F5ZH4
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DTXSID20175320
Created by
admin on Fri Dec 15 15:42:04 GMT 2023 , Edited by admin on Fri Dec 15 15:42:04 GMT 2023
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Related Record | Type | Details | ||
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SALT/SOLVATE -> PARENT |
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TARGET -> INHIBITOR |
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SOLVATE->ANHYDROUS |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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