Runcaciguat
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MedKoo CAT#: 584817

CAS#: 1402936-61-1

Description: Runcaciguat, also known as BAY 1101042, is a novel, potent, and orally active sGC activator. Runcaciguat activated the sGC reporter cell line with an EC50 value of 11.2 ± 1.0 nM. Pretreatment of the sGC reporter cell line with 30 μM ODQ for 3 h resulted in an increased potency of runcaciguat (EC50 of 2.1 ± 0.07 nM), and treatment of the reporter cells with runcaciguat in combination with the NO donor S-nitroso-N-acetylpenicillamine (SNAP) (10 and 100 nM) showed additive effects. Treatment with runcaciguat resulted in maximal luminescence signals in the range of 50–60% in comparison to the sGC activator cinaciguat. Given the broad impact of oxidative stress in cardiovascular and cardiorenal diseases, runcaciguat might become a new treatment modality for a broad variety of diseases in these indication space but also beyond.

Chemical Structure

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Runcaciguat
CAS# 1402936-61-1
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 584817
Name: Runcaciguat
CAS#: 1402936-61-1
Chemical Formula: C23H22Cl2F3NO3
Exact Mass: 487.09
Molecular Weight: 488.330
Elemental Analysis: C, 56.57; H, 4.54; Cl, 14.52; F, 11.67; N, 2.87; O, 9.83

Price and Availability

Size Price Availability Quantity
1mg USD 85 Ready to ship
5mg USD 250 Ready to ship
10mg USD 450 Ready to ship
25mg USD 850 Ready to ship
50mg USD 1450 Ready to ship
100mg USD 2450 Ready to ship
200mg USD 3650 Ready to ship
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Synonym: Runcaciguat; BAY 1101042; BAY-1101042 BAY1101042;

IUPAC/Chemical Name: (3S)-3-{4-chloro-3-[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanamido]phenyl}-3-cyclopropylpropanoic acid

InChi Key: NCRMKIWHFXSBGZ-CNBXIYLPSA-N

InChi Code: 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

SMILES Code: O=C(O)C[C@H](C1=CC=C(Cl)C(NC([C@H](C2=CC=C(Cl)C=C2)[C@@H](C)C(F)(F)F)=O)=C1)C3CC3

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info: Generation of cGMP via NO-sensitive soluble guanylyl cyclase (sGC) has been implicated in the regulation of renal functions. Chronic kidney disease (CKD) is associated with decreased NO bioavailability, increased oxidative stress and oxidation of sGC to its haem-free form, apo-sGC. Apo-sGC cannot be activated by NO, resulting in impaired cGMP signalling that is associated with chronic kidney disease progression. sGC activators, which activate apo-sGC independently of NO, increase renal cGMP production under conditions of oxidative stress, thereby improving renal blood flow (RBF) and kidney function.

Biological target: A novel, potent, and orally active sGC activator.
In vitro activity: The investigation of the structure-activity relationship allowed to improve potency and multiple solubility, permeability, metabolism, and drug-drug interactions parameters. This program resulted in the discovery of the oral sGC activator runcaciguat (compound 45, BAY 1101042). Runcaciguat is currently investigated in clinical phase 2 studies for the treatment of patients with chronic kidney disease and nonproliferative diabetic retinopathy. Reference: Hahn MG, Lampe T, El Sheikh S, Griebenow N, Woltering E, Schlemmer KH, Dietz L, Gerisch M, Wunder F, Becker-Pelster EM, Mondritzki T, Tinel H, Knorr A, Kern A, Lang D, Hueser J, Schomber T, Benardeau A, Eitner F, Truebel H, Mittendorf J, Kumar V, van den Akker F, Schaefer M, Geiss V, Sandner P, Stasch JP. Discovery of the Soluble Guanylate Cyclase Activator Runcaciguat (BAY 1101042). J Med Chem. 2021 May 13;64(9):5323-5344. doi: 10.1021/acs.jmedchem.0c02154. Epub 2021 Apr 19. PMID: 33872507.
In vivo activity: TBD

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
Soluble in DMSO 0.0 0.00

Preparing Stock Solutions

The following data is based on the product molecular weight 488.33 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol: Hahn MG, Lampe T, El Sheikh S, Griebenow N, Woltering E, Schlemmer KH, Dietz L, Gerisch M, Wunder F, Becker-Pelster EM, Mondritzki T, Tinel H, Knorr A, Kern A, Lang D, Hueser J, Schomber T, Benardeau A, Eitner F, Truebel H, Mittendorf J, Kumar V, van den Akker F, Schaefer M, Geiss V, Sandner P, Stasch JP. Discovery of the Soluble Guanylate Cyclase Activator Runcaciguat (BAY 1101042). J Med Chem. 2021 May 13;64(9):5323-5344. doi: 10.1021/acs.jmedchem.0c02154. Epub 2021 Apr 19. PMID: 33872507.
In vitro protocol: Hahn MG, Lampe T, El Sheikh S, Griebenow N, Woltering E, Schlemmer KH, Dietz L, Gerisch M, Wunder F, Becker-Pelster EM, Mondritzki T, Tinel H, Knorr A, Kern A, Lang D, Hueser J, Schomber T, Benardeau A, Eitner F, Truebel H, Mittendorf J, Kumar V, van den Akker F, Schaefer M, Geiss V, Sandner P, Stasch JP. Discovery of the Soluble Guanylate Cyclase Activator Runcaciguat (BAY 1101042). J Med Chem. 2021 May 13;64(9):5323-5344. doi: 10.1021/acs.jmedchem.0c02154. Epub 2021 Apr 19. PMID: 33872507.
In vivo protocol: TBD

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