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    Technical details about Sisunatovir, learn more about the structure, uses, toxicity, action, side effects and more

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    Sisunatovir

    DEVELOPMENTS

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: Rv521, Rv-521, Sisunatovir [usan], 1903763-82-5, Ke63tto7wk, Rv521.hcl
    Molecular Formula
    C23H22F4N4O
    Molecular Weight
    446.4  g/mol
    InChI Key
    JOPCJJSYRPUEDS-UHFFFAOYSA-N
    FDA UNII
    KE63TTO7WK
    Sisunatovir is an orally available, small molecule inhibitor of human respiratory syncytial virus (RSV) fusion protein (F protein), with potential antiviral activity. Upon oral administration, sisunatovir specifically targets and binds to RSV-F protein on the viral surface, which inhibits RSV-F protein-mediated fusion with the host cell membrane and prevents viral entry. This blocks RSV replication, reduces viral load, and decreases the severity of the disease. RSV-F protein, a viral surface glycoprotein, plays a key role in RSV fusion with and entry into target cells.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1'-[[5-(aminomethyl)-1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]methyl]-6'-fluorospiro[cyclopropane-1,3'-indole]-2'-one
    2.1.2 InChI
    InChI=1S/C23H22F4N4O/c24-15-3-4-16-19(11-15)31(21(32)22(16)7-8-22)13-20-29-17-10-14(12-28)2-5-18(17)30(20)9-1-6-23(25,26)27/h2-5,10-11H,1,6-9,12-13,28H2
    2.1.3 InChI Key
    JOPCJJSYRPUEDS-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC12C3=C(C=C(C=C3)F)N(C2=O)CC4=NC5=C(N4CCCC(F)(F)F)C=CC(=C5)CN
    2.2 Other Identifiers
    2.2.1 UNII
    KE63TTO7WK
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1'-((5-(aminomethyl)-1-(4,4,4-trifluorobutyl)-1h-1,3-benzodiazol-2-yl)methyl)-6'-fluoro-1',2'-dihydrospiro(cyclopropane-1,3'-indole)-2'-one

    2. Rv521

    2.3.2 Depositor-Supplied Synonyms

    1. Rv521

    2. Rv-521

    3. Sisunatovir [usan]

    4. 1903763-82-5

    5. Ke63tto7wk

    6. Rv521.hcl

    7. 1'-[[5-(aminomethyl)-1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]methyl]-6'-fluorospiro[cyclopropane-1,3'-indole]-2'-one

    8. 1'-{[5-(aminomethyl)-1-(4,4,4-trifluorobutyl)-1h-benzimidazol-2-yl]methyl}-6'-fluorospiro[cyclopropane-1,3'-indol]-2'(1'h)-one

    9. Spiro(cyclopropane-1,3'-(3h)indol)-2'(1'h)-one, 1'-((5-(aminomethyl)-1-(4,4,4-trifluorobutyl)-1h-benzimidazol-2-yl)methyl)-6'-fluoro-

    10. Rv521 Free Base

    11. Unii-ke63tto7wk

    12. Sisunatovir [inn]

    13. Sisunatovir [who-dd]

    14. Chembl4297497

    15. Schembl19470916

    16. Sisunatovir (synonyms: Rv521)

    17. Ex-a4653

    18. Bdbm50572450

    19. Rv 521

    20. Who 11253

    21. Hy-123475

    22. Cs-0082715

    23. 1'-((5-(aminomethyl)-1-(4,4,4-trifluorobutyl)-1h-benzimidazol-2-yl)methyl)-6'-fluorospiro(cyclopropane-1,3'-(3h)indol)-2'(1'h)-one

    24. 1'-((5-(aminomethyl)-1-(4,4,4-trifluorobutyl)-1h-benzo[d]imidazol-2-yl)methyl)-6'-fluorospiro[cyclopropane-1,3'-indolin]-2'-one

    25. Wva

    2.4 Create Date
    2018-01-29
    3 Chemical and Physical Properties
    Molecular Weight 446.4 g/mol
    Molecular Formula C23H22F4N4O
    XLogP33.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count6
    Exact Mass446.17297399 g/mol
    Monoisotopic Mass446.17297399 g/mol
    Topological Polar Surface Area64.2 Ų
    Heavy Atom Count32
    Formal Charge0
    Complexity715
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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