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    Reldesemtiv

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
    $ API Ref.Price (USD/KG) : 316,957Xls

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    2D Structure
    Also known as: Ck-2127107, 1345410-31-2, Reldesemtiv [usan], 4s0hbyw6qe, Reldesemtiv (usan), 1-[2-({[trans-3-fluoro-1-(3-fluoropyridin-2-yl)cyclobutyl]methyl}amino)pyrimidin-5-yl]-1h-pyrrole-3- carboxamide
    Molecular Formula
    C19H18F2N6O
    Molecular Weight
    384.4  g/mol
    InChI Key
    MQXWPWOCXGARRK-UHFFFAOYSA-N
    FDA UNII
    4S0HBYW6QE
    Reldesemtiv is under investigation in clinical trial NCT03160898 (A Study to Evaluate Efficacy, Safety and Tolerability of CK-2127107 in Patients With Amyotrophic Lateral Sclerosis (ALS)).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[2-[[3-fluoro-1-(3-fluoropyridin-2-yl)cyclobutyl]methylamino]pyrimidin-5-yl]pyrrole-3-carboxamide
    2.1.2 InChI
    InChI=1S/C19H18F2N6O/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)
    2.1.3 InChI Key
    MQXWPWOCXGARRK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1C(CC1(CNC2=NC=C(C=N2)N3C=CC(=C3)C(=O)N)C4=C(C=CC=N4)F)F
    2.2 Other Identifiers
    2.2.1 UNII
    4S0HBYW6QE
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-(2-((3-fluoro-1-(3-fluoropyridin-2-yl)cyclobutyl)methylamino)pyrimidin-5-yl)pyrrole-3-carboxamide

    2. Ck-2127107

    2.3.2 Depositor-Supplied Synonyms

    1. Ck-2127107

    2. 1345410-31-2

    3. Reldesemtiv [usan]

    4. 4s0hbyw6qe

    5. Reldesemtiv (usan)

    6. 1-[2-({[trans-3-fluoro-1-(3-fluoropyridin-2-yl)cyclobutyl]methyl}amino)pyrimidin-5-yl]-1h-pyrrole-3- Carboxamide

    7. 1-[2-[[3-fluoro-1-(3-fluoropyridin-2-yl)cyclobutyl]methylamino]pyrimidin-5-yl]pyrrole-3-carboxamide

    8. 1h-pyrrole-3-carboxamide, 1-(2-(((trans-3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl)methyl)amino)-5-pyrimidinyl)-

    9. Unii-4s0hbyw6qe

    10. Reldesemtiv [inn]

    11. Schembl2566240

    12. Chembl4297600

    13. Schembl12288022

    14. Schembl17584804

    15. Gtpl11801

    16. Ck-107

    17. Db15256

    18. Ck2127107

    19. Hy-109121

    20. Cs-0078343

    21. J3.610.548h

    22. D11363

    23. 1-(2-(((trans-3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl)methyl)amino)-5-pyrimidinyl)- 1h-pyrrole-3-carboxamide

    24. 1-(2-(((trans-3-fluoro-1-(3-fluoropyridin-2-yl)cyclobutyl)methyl)amino)pyrimidin-5-yl)-1h-pyrrole-3-carboxamide

    25. 1-[2-[[[3alpha-fluoro-1beta-(3-fluoro-2-pyridyl)cyclobutane-1-yl]methyl]amino]pyrimidine-5-yl]-1h-pyrrole-3-carboxamide

    26. 1-[2-[[[trans-3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]amino]-5-pyrimidinyl]-1h-pyrrole-3-carboxamide

    2.4 Create Date
    2012-11-30
    3 Chemical and Physical Properties
    Molecular Weight 384.4 g/mol
    Molecular Formula C19H18F2N6O
    XLogP31.5
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count6
    Exact Mass384.15101554 g/mol
    Monoisotopic Mass384.15101554 g/mol
    Topological Polar Surface Area98.7 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity553
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    Treatment of amyotrophic lateral sclerosis