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    Giredestrant

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

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    2D Structure
    Also known as: 1953133-47-5, Gdc-9545, Giredestrant [inn], Giredestrant [usan], Ro7197597, 28p3du6db3
    Molecular Formula
    C27H31F5N4O
    Molecular Weight
    522.6  g/mol
    InChI Key
    GQCXHIKRWBIQMD-AKJBCIBTSA-N
    FDA UNII
    28P3DU6DB3
    Giredestrant is an orally available selective estrogen receptor degrader/downregulator (SERD), with potential antineoplastic activity. Upon oral administration, giredestrant specifically targets and binds to the estrogen receptor (ER) and induces a conformational change that promotes ER degradation. This prevents ER-mediated signaling and inhibits both the growth and survival of ER-expressing cancer cells.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[(1R,3R)-1-[2,6-difluoro-4-[[1-(3-fluoropropyl)azetidin-3-yl]amino]phenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol
    2.1.2 InChI
    InChI=1S/C27H31F5N4O/c1-16-9-20-19-5-2-3-6-23(19)34-25(20)26(36(16)14-27(31,32)15-37)24-21(29)10-17(11-22(24)30)33-18-12-35(13-18)8-4-7-28/h2-3,5-6,10-11,16,18,26,33-34,37H,4,7-9,12-15H2,1H3/t16-,26-/m1/s1
    2.1.3 InChI Key
    GQCXHIKRWBIQMD-AKJBCIBTSA-N
    2.1.4 Canonical SMILES
    CC1CC2=C(C(N1CC(CO)(F)F)C3=C(C=C(C=C3F)NC4CN(C4)CCCF)F)NC5=CC=CC=C25
    2.1.5 Isomeric SMILES
    C[C@@H]1CC2=C([C@H](N1CC(CO)(F)F)C3=C(C=C(C=C3F)NC4CN(C4)CCCF)F)NC5=CC=CC=C25
    2.2 Other Identifiers
    2.2.1 UNII
    28P3DU6DB3
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Gdc-9545

    2.3.2 Depositor-Supplied Synonyms

    1. 1953133-47-5

    2. Gdc-9545

    3. Giredestrant [inn]

    4. Giredestrant [usan]

    5. Ro7197597

    6. 28p3du6db3

    7. Ro-7197597

    8. 3-[(1r,3r)-1-[2,6-difluoro-4-[[1-(3-fluoropropyl)azetidin-3-yl]amino]phenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol

    9. 3-((1r,3r)-1-(2,6-difluoro-4-((1-(3-fluoropropyl)azetidin-3-yl)amino)phenyl)-3-methyl-1,3,4,9-tetrahydro-2h-pyrido(3,4-b)indol-2-yl)-2,2-difluoropropan-1-ol

    10. 3-((1r,3r)-1-(2,6-difluoro-4-((1-(3-fluoropropyl)azetidin-3-yl)amino)phenyl)-3-methyl-1,3,4,9-tetrahydro-2h-pyrido[3,4-b]indol-2-yl)-2,2-difluoropropan-1-ol

    11. 3-[(1r,3r)-1-(2,6-difluoro-4-{[1-(3-fluoropropyl)azetidin-3-yl]amino}phenyl)-3-methyl-1,3,4,9-tetrahydro-2h-pyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol

    12. Unii-28p3du6db3

    13. Giredestrant [who-dd]

    14. Chembl4650316

    15. Schembl17839430

    16. Gdc9545

    17. Ex-a3541

    18. Bdbm50572808

    19. Nsc827275

    20. Who 11226

    21. At22918

    22. Nsc-827275

    23. Hy-109176

    24. Cs-0116370

    25. (1r,3r)-1-(2,6-difluoro-4-((1-(3-fluoropropyl)-3-azetidinyl)amino)phenyl)-.beta.,.beta.-difluoro-1,3,4,9-tetrahydro-3-methyl-2h-pyrido(3,4-b)indole-2-propanol

    26. 2h-pyrido(3,4-b)indole-2-propanol, 1-(2,6-difluoro-4-((1-(3-fluoropropyl)-3-azetidinyl)amino)phenyl)-.beta.,.beta.-difluoro-1,3,4,9-tetrahydro-3-methyl-, (1r,3r)-

    27. 2h-pyrido(3,4-b)indole-2-propanol, 1-(2,6-difluoro-4-((1-(3-fluoropropyl)-3-azetidinyl)amino)phenyl)-beta,beta-difluoro-1,3,4,9-tetrahydro-3-methyl-, (1r,3r)-

    28. 3-((1r,3r)-1-(2,6-difluoro-4-((1-(3-fluoropropyl)azetidin-3-yl)amino)phenyl)-3-methyl-3,4-dihydro-1h-pyrido[3,4-b]indol-2(9h)-yl)-2,2-difluoropropan-1-ol

    29. 3-[(1r,3r)-1-[2,6-difluoro-4-[[1-(3-fluoropropyl)azetidin-3-yl]amino]phenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2,2-difluoro-propan-1-ol

    30. Znm

    2.4 Create Date
    2016-08-06
    3 Chemical and Physical Properties
    Molecular Weight 522.6 g/mol
    Molecular Formula C27H31F5N4O
    XLogP34.8
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count9
    Exact Mass522.24180244 g/mol
    Monoisotopic Mass522.24180244 g/mol
    Topological Polar Surface Area54.5 Ų
    Heavy Atom Count37
    Formal Charge0
    Complexity746
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1