Reldesemtiv HCl | CAS# | Troponin activator

MedKoo Cat#: 572145 | Name: Reldesemtiv HCl

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Reldesemtiv, also known as CK-107 and CK-2127107, is a fast skeletal troponin activator. Reldesemtiv improves exercise tolerance and increases performance in a rat model of heart failure.

Chemical Structure

Reldesemtiv HCl

CAS#N/A

Theoretical Analysis

MedKoo Cat#: 572145

Name: Reldesemtiv HCl

CAS#: N/A

Chemical Formula: C19H19ClF2N6O

Exact Mass: 0.0000

Molecular Weight: 420.85

Elemental Analysis: C, 54.23; H, 4.55; Cl, 8.42; F, 9.03; N, 19.97; O, 3.80

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

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Related CAS #

1345410-31-2 (free base)

Synonym

Reldesemtiv, CK-2127107; CK 2127107; CK2127107; CK-107; CK 107; CK107; Reldesemtiv HCl, 1345410-31-2 (free base),

IUPAC/Chemical Name

1-[2-({[trans-3-fluoro-1-(3-fluoropyridin-2-yl)cyclobutyl]methyl}amino)pyrimidin-5-yl]-1H-pyrrole-3-carboxamide hydrochloride

InChi Key

VQNDYQWNJJMOLJ-YOHOECQTSA-N

InChi Code

InChI=1S/C19H18F2N6O.ClH/c20-13-6-19(7-13,16-15(21)2-1-4-23-16)11-26-18-24-8-14(9-25-18)27-5-3-12(10-27)17(22)28;/h1-5,8-10,13H,6-7,11H2,(H2,22,28)(H,24,25,26);1H/t13-,19-;

SMILES Code

O=C(C1=CN(C2=CN=C(NC[C@]3(C4=NC=CC=C4F)C[C@H](F)C3)N=C2)C=C1)N.[H]Cl

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

To be determined

Shelf Life

>3 years if stored properly

Drug Formulation

To be determined

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

Product Data

Product Data

Instruction

View handling instruction

Biological target:

Reldesemtiv is a selective, orally active and next-generation fast skeletal muscle troponin activator (FSTA). Reldesemtiv selectively activates fast skeletal myofibrils with an EC50 of 3.4 μM.

In vitro activity:

While not specific to reldesemtiv, this article review both repurposed drugs and small-molecule compounds discovered, one being reldesemtiv, following medicinal chemistry optimization for the potential treatment of spinal muscular atrophy. Reference: J Med Chem. 2016 Nov 23;59(22):10067-10083. https://pubmed.ncbi.nlm.nih.gov/27490705/

In vivo activity:

Reldesemtiv substantially increases exercise performance in rats exhibiting heart failure-mediated skeletal myopathy. These results suggest that the modulation of skeletal muscle function by a fast skeletal troponin activator may be a useful therapeutic in heart failure-associated exercise intolerance. Reference: J Pharmacol Exp Ther. 2015 Apr;353(1):159-68. https://pubmed.ncbi.nlm.nih.gov/25678535/

Preparing Stock Solutions

The following data is based on the product molecular weight 420.85 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.

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:

1. Calder AN, Androphy EJ, Hodgetts KJ. Small Molecules in Development for the Treatment of Spinal Muscular Atrophy. J Med Chem. 2016 Nov 23;59(22):10067-10083. doi: 10.1021/acs.jmedchem.6b00670. Epub 2016 Aug 16. PMID: 27490705; PMCID: PMC5744254. 2. Shefner JM, Andrews JA, Genge A, Jackson C, Lechtzin N, Miller TM, Cockroft BM, Meng L, Wei J, Wolff AA, Malik FI, Bodkin C, Brooks BR, Caress J, Dionne A, Fee D, Goutman SA, Goyal NA, Hardiman O, Hayat G, Heiman-Patterson T, Heitzman D, Henderson RD, Johnston W, Karam C, Kiernan MC, Kolb SJ, Korngut L, Ladha S, Matte G, Mora JS, Needham M, Oskarsson B, Pattee GL, Pioro EP, Pulley M, Quan D, Rezania K, Schellenberg KL, Schultz D, Shoesmith C, Simmons Z, Statland J, Sultan S, Swenson A, Berg LHVD, Vu T, Vucic S, Weiss M, Whyte-Rayson A, Wymer J, Zinman L, Rudnicki SA. A Phase 2, Double-Blind, Randomized, Dose-Ranging Trial Of Reldesemtiv In Patients With ALS. Amyotroph Lateral Scler Frontotemporal Degener. 2021 May;22(3-4):287-299. doi: 10.1080/21678421.2020.1822410. Epub 2020 Sep 24. PMID: 32969758; PMCID: PMC8117790. 3. Hwee DT, Kennedy AR, Hartman JJ, Ryans J, Durham N, Malik FI, Jasper JR. The small-molecule fast skeletal troponin activator, CK-2127107, improves exercise tolerance in a rat model of heart failure. J Pharmacol Exp Ther. 2015 Apr;353(1):159-68. doi: 10.1124/jpet.114.222224. Epub 2015 Feb 12. PMID: 25678535.

In vitro protocol:

In vivo protocol:

1. Shefner JM, Andrews JA, Genge A, Jackson C, Lechtzin N, Miller TM, Cockroft BM, Meng L, Wei J, Wolff AA, Malik FI, Bodkin C, Brooks BR, Caress J, Dionne A, Fee D, Goutman SA, Goyal NA, Hardiman O, Hayat G, Heiman-Patterson T, Heitzman D, Henderson RD, Johnston W, Karam C, Kiernan MC, Kolb SJ, Korngut L, Ladha S, Matte G, Mora JS, Needham M, Oskarsson B, Pattee GL, Pioro EP, Pulley M, Quan D, Rezania K, Schellenberg KL, Schultz D, Shoesmith C, Simmons Z, Statland J, Sultan S, Swenson A, Berg LHVD, Vu T, Vucic S, Weiss M, Whyte-Rayson A, Wymer J, Zinman L, Rudnicki SA. A Phase 2, Double-Blind, Randomized, Dose-Ranging Trial Of Reldesemtiv In Patients With ALS. Amyotroph Lateral Scler Frontotemporal Degener. 2021 May;22(3-4):287-299. doi: 10.1080/21678421.2020.1822410. Epub 2020 Sep 24. PMID: 32969758; PMCID: PMC8117790. 2. Hwee DT, Kennedy AR, Hartman JJ, Ryans J, Durham N, Malik FI, Jasper JR. The small-molecule fast skeletal troponin activator, CK-2127107, improves exercise tolerance in a rat model of heart failure. J Pharmacol Exp Ther. 2015 Apr;353(1):159-68. doi: 10.1124/jpet.114.222224. Epub 2015 Feb 12. PMID: 25678535.

1: Andrews JA, Miller TM, Vijayakumar V, Stoltz R, James JK, Meng L, Wolff AA, Malik FI. CK-2127107 amplifies skeletal muscle response to nerve activation in humans. Muscle Nerve. 2018 May;57(5):729-734. doi: 10.1002/mus.26017. Epub 2017 Dec 11. PubMed PMID: 29150952. 2: Gross N. The COPD Pipeline XXXII. Chronic Obstr Pulm Dis. 2016 Jul 14;3(3):688-692. doi: 10.15326/jcopdf.3.3.2016.0150. PubMed PMID: 28848893; PubMed Central PMCID: PMC5556764.