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    Remibrutinib

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
    $ API Ref.Price (USD/KG) : 3,782Xls

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    2D Structure
    Also known as: 1787294-07-8, Remibrutinib [inn], Lou064, Remibrutinib [usan], I7mvz8hdnu, Remibrutinib (lou064)
    Molecular Formula
    C27H27F2N5O3
    Molecular Weight
    507.5  g/mol
    InChI Key
    CUABMPOJOBCXJI-UHFFFAOYSA-N
    FDA UNII
    I7MVZ8HDNU
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[3-[6-amino-5-[2-[methyl(prop-2-enoyl)amino]ethoxy]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-4-cyclopropyl-2-fluorobenzamide
    2.1.2 InChI
    InChI=1S/C27H27F2N5O3/c1-4-23(35)34(3)9-10-37-25-24(31-14-32-26(25)30)20-12-18(28)13-22(15(20)2)33-27(36)19-8-7-17(11-21(19)29)16-5-6-16/h4,7-8,11-14,16H,1,5-6,9-10H2,2-3H3,(H,33,36)(H2,30,31,32)
    2.1.3 InChI Key
    CUABMPOJOBCXJI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=C(C=C1NC(=O)C2=C(C=C(C=C2)C3CC3)F)F)C4=C(C(=NC=N4)N)OCCN(C)C(=O)C=C
    2.2 Other Identifiers
    2.2.1 UNII
    I7MVZ8HDNU
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Lou064

    2. N-(3-(6-amino-5-(2-(methyl(prop-2-enoyl)amino)ethoxy)pyrimidin-4-yl)-5-fluoro-2-methylphenyl)-4-cyclopropyl-2-fluorobenzamide

    2.3.2 Depositor-Supplied Synonyms

    1. 1787294-07-8

    2. Remibrutinib [inn]

    3. Lou064

    4. Remibrutinib [usan]

    5. I7mvz8hdnu

    6. Remibrutinib (lou064)

    7. Nvp-lou064-nxa

    8. Lou064-nxa

    9. N-(3-(6-amino-5-(2-(n-methylacrylamido)ethoxy)pyrimidin-4-yl)-5-fluoro-2-methylphenyl)-4-cyclopropyl-2-fluorobenzamide

    10. N-[3-[6-amino-5-[2-[methyl(1-oxo-2-propen-1-yl)amino]ethoxy]-4-pyrimidinyl]-5-fluoro-2-methylphenyl]-4-cyclopropyl-2-fluorobenzamide

    11. N-[3-[6-amino-5-[2-[methyl(prop-2-enoyl)amino]ethoxy]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-4-cyclopropyl-2-fluorobenzamide

    12. Benzamide, N-(3-(6-amino-5-(2-(methyl(1-oxo-2-propen-1-yl)amino)ethoxy)-4-pyrimidinyl)-5-fluoro-2-methylphenyl)-4-cyclopropyl-2-fluoro-

    13. Unii-i7mvz8hdnu

    14. Chembl4483575

    15. Schembl16754888

    16. Gtpl10457

    17. Lou-064

    18. Ex-a3421

    19. S9660

    20. Who 11062

    21. Example 6 [wo2015079417a1]

    22. Compound 25 [pmid: 32083858]

    23. Ac-36985

    24. Hy-128757

    25. Cs-0103905

    26. Us9512084, 6

    27. A930622

    28. Lou-064;n-(3-(6-amino-5-(2-(n-methylacrylamido)ethoxy)pyrimidin-4-yl)-5-fluoro-2-methylphenyl)-4-cyclopropyl-2-fluorobenzamide

    2.4 Create Date
    2016-02-23
    3 Chemical and Physical Properties
    Molecular Weight 507.5 g/mol
    Molecular Formula C27H27F2N5O3
    XLogP33.9
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count9
    Exact Mass507.20819606 g/mol
    Monoisotopic Mass507.20819606 g/mol
    Topological Polar Surface Area110 Ų
    Heavy Atom Count37
    Formal Charge0
    Complexity815
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Protein Kinase Inhibitors

    Agents that inhibit PROTEIN KINASES. (See all compounds classified as Protein Kinase Inhibitors.)