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    Chemistry

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    Also known as: Polvitolimod [inn], 2389988-81-0, 84sv793nfk, 2-amino-9-[(2r,3s,4s,5r)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-prop-2-ynylpurin-8-one, 8h-purin-8-one, 2-amino-9-(3-deoxy-3-fluoro-beta-d-ribofuranosyl)-7,9-dihydro-7-(2-propyn-1-yl)-, Compound 32 [wo2019226977a1]
    Molecular Formula
    C13H14FN5O4
    Molecular Weight
    323.28  g/mol
    InChI Key
    NPRYCHLHHVWLQZ-TURQNECASA-N
    FDA UNII
    84SV793NFK
    Polvitolimod
    Polvitolimod is a small molecule drug. The usage of the INN stem '-tolimod' in the name indicates that Polvitolimod is a toll-like receptor (TLR) agonist. Polvitolimod has a monoisotopic molecular weight of 323.1 Da.
    1 2D Structure

    Polvitolimod

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-amino-9-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-prop-2-ynylpurin-8-one
    2.1.2 InChI
    InChI=1S/C13H14FN5O4/c1-2-3-18-6-4-16-12(15)17-10(6)19(13(18)22)11-9(21)8(14)7(5-20)23-11/h1,4,7-9,11,20-21H,3,5H2,(H2,15,16,17)/t7-,8-,9-,11-/m1/s1
    2.1.3 InChI Key
    NPRYCHLHHVWLQZ-TURQNECASA-N
    2.2 Other Identifiers
    2.2.1 UNII
    84SV793NFK
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Polvitolimod [inn]

    2. 2389988-81-0

    3. 84sv793nfk

    4. 2-amino-9-[(2r,3s,4s,5r)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-prop-2-ynylpurin-8-one

    5. 8h-purin-8-one, 2-amino-9-(3-deoxy-3-fluoro-beta-d-ribofuranosyl)-7,9-dihydro-7-(2-propyn-1-yl)-

    6. Compound 32 [wo2019226977a1]

    7. 2-amino-9-(3-deoxy-3-fluoro-beta-d-ribofuranosyl)-7-(prop-2-yn-1-yl)-7,9-dihydro-8h-purin-8-one

    8. 2-amino-9-(3-deoxy-3-fluoro-.beta.-d-ribofuranosyl)-7-(prop-2-yn-1-yl)-7,9-dihydro-8h-purin-8-one

    9. 8h-purin-8-one, 2-amino-9-(3-deoxy-3-fluoro-.beta.-d-ribofuranosyl)-7,9-dihydro-7-(2-propyn-1-yl)-

    10. Compound 32 (wo2019226977a1)

    11. 2-amino-9-((2r,3s,4s,5r)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)-7-prop-2-ynylpurin-8-one

    12. Refchem:175049

    13. Unii-84sv793nfk

    14. Orb1689158

    15. Schembl23202027

    16. Schembl31142238

    17. Gtpl11872

    18. Glxc-26965

    19. Da-76975

    20. Hy-145618

    21. Cs-0376782

    2.4 Create Date
    2020-08-13
    3 Chemical and Physical Properties
    Molecular Weight 323.28 g/mol
    Molecular Formula C13H14FN5O4
    XLogP3-1.7
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count3
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area125
    Heavy Atom Count23
    Formal Charge0
    Complexity528
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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