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runcaciguat , Soluble guanylate cyclase activator, CAS No.1402936-61-1, Soluble guanylate cyclase activator
Basic Description Synonyms Benzenepropanoic acid, 4-chloro-3-(((2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methyl-1-oxobutyl)amino)-beta-cyclopropyl-, (betaS)- | SCHEMBL20075857 | 1402936-61-1 | UNII-5EZ01YDT5S | AC-37098 | GTPL12359 | Runcaciguat [INN] | (3S)-3-(4-chloro-3-{[(2S, Specifications & Purity Moligand™ Grade Moligand™ Action Type ACTIVATOR Mechanism of action Soluble guanylate cyclase activator
Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Names and Identifiers IUPAC Name (3S)-3-[4-chloro-3-[[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino]phenyl]-3-cyclopropylpropanoic acid INCHI InChI=1S/C23H22Cl2F3NO3/c1-12(23(26,27)28)21(14-4-7-16(24)8-5-14)22(32)29-19-10-15(6-9-18(19)25)17(11-20(30)31)13-2-3-13/h4-10,12-13,17,21H,2-3,11H2,1H3,(H,29,32)(H,30,31)/t12-,17+,21+/m1/s1 InChi Key NCRMKIWHFXSBGZ-CNBXIYLPSA-N Canonical SMILES CC(C(C1=CC=C(C=C1)Cl)C(=O)NC2=C(C=CC(=C2)C(CC(=O)O)C3CC3)Cl)C(F)(F)F Isomeric SMILES C[C@H]([C@@H](C1=CC=C(C=C1)Cl)C(=O)NC2=C(C=CC(=C2)[C@@H](CC(=O)O)C3CC3)Cl)C(F)(F)F Alternate CAS 1402936-61-1 PubChem CID 134440946 MeSH Entry Terms BAY 1101042;runcaciguat Molecular Weight 488.3
References 1. Hahn MG, Lampe T, El Sheikh S, Griebenow N, Woltering E, Schlemmer KH, Dietz L, Gerisch M, Wunder F, Becker-Pelster EM et al. . (2021) Discovery of the Soluble Guanylate Cyclase Activator Runcaciguat (BAY 1101042).. J Med Chem, 64 (9): (5323-5344). [PMID:33872507 ] [10.1021/op500134e ]
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