144602-02-8
Chemical Structure
IRL 1038
- CAS No.: 144602-02-8
- Formula:C68H92N14O15S2
- Molecular Weight:1409.67
IUPAC Name: (3S,6S,9S,12S,15S,18S)-3-((1H-imidazol-5-yl)methyl)-18-((1H-indol-3-yl)methyl)-1-((4R,7S,10S,13S,16R)-16-amino-7-benzyl-10-(4-hydroxybenzyl)-13-isopropyl-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetraazacycloheptadecan-4-yl)-12,15-di((S)-sec-butyl)-9-(carb
InChIKey: OETKRDJJNWJFOP-PJLZVMSOSA-N
SMILES: O=C([C@H]1NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CSSC1)N)=O)C(C)C)=O)CC2=CC=C(C=C2)O)=O)CC3=CC=CC=C3)=O)N[C@@H](CC4=CN=CN4)C(N[C@@H](CC(C)C)C(N[C@@H](CC(O)=O)C(N[C@@H]([C@@H](C)CC)C(N[C@@H]([C@@H](C)CC)C(N[C@H](C(O)=O)CC5=CNC6=CC=CC=C56)=O)=O)=O)=O)=O
Biological Activity: IRL 1038 is an endothelin B receptor selective antagonist with a Ki of 6-11 nM[1].
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IRL 1038 | IRL 1038 is an endothelin B receptor selective antagonist with a Ki of 6-11 nM. | |||||||||||||||||||||
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