runcaciguat , Soluble guanylate cyclase activator, CAS No.1402936-61-1, Soluble guanylate cyclase activator

Item Number
R613333
Grouped product items
SKUSizeAvailabilityPrice Qty
R613333-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$1,334.90
R613333-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$2,001.90

Basic Description

SynonymsBenzenepropanoic 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 & PurityMoligand™
GradeMoligand™
Action TypeACTIVATOR
Mechanism of actionSoluble guanylate cyclase activator

Product Properties

ALogP6.6

Associated Targets(Human)

GUCY1A1 Tclin Guanylate cyclase soluble subunit alpha-1 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
GUCY1B1 Tclin Guanylate cyclase soluble subunit beta-1 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Heart (171 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Aorta (2975 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Gucy1a1 Guanylate cyclase soluble subunit alpha-1 (85 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Coronary artery (1 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

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

Certificates

Certificate of Analysis(COA)

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Related Documents

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]

Solution Calculators