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    Sunvozertinib

    ACTIVE PHARMA INGREDIENTS

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    FINISHED DOSAGE FORMULATIONS

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    2D Structure
    Also known as: Sunvozertinib [inn], L1q2k5jyo8, 2370013-12-8, Dzd9008, 2-propenamide, n-(5-((4-((5-chloro-4-fluoro-2-(1-hydroxy-1-methylethyl)phenyl)amino)-2-pyrimidinyl)amino)-2-((3r)-3-(dimethylamino)-1-pyrrolidinyl)-4-methoxyphenyl)-, Unii-l1q2k5jyo8
    Molecular Formula
    C29H35ClFN7O3
    Molecular Weight
    584.1  g/mol
    InChI Key
    BTMKEDDEMKKSEF-QGZVFWFLSA-N
    FDA UNII
    L1Q2K5JYO8
    Sunvozertinib is an orally available, irreversible, dual kinase inhibitor of epidermal growth factor receptor (EGFR) and human epidermal growth factor receptor 2 (HER2) that shows similar activity against certain activating mutations, including exon 20 insertions (exon20ins), with potential antineoplastic activity. Upon oral administration,sunvozertinib binds to and inhibits EGFR and HER2, which may result in the inhibition of tumor growth and angiogenesis, and tumor regression in EGFR/HER2-expressing tumors. EGFR and HER2 are receptor tyrosine kinases that play major roles in tumor cell proliferation and tumor vascularization. In contrast to other agents active against exon20ins mutations, sunvozertinib appears to be more selective against mutated EGFR than wild-type (wt) EGFR. This may lessen wtEGFR-related dose-limiting toxicity and may allow for the administration of the desired therapeutic dose of sunvozertinib.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]pyrimidin-2-yl]amino]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-methoxyphenyl]prop-2-enamide
    2.1.2 InChI
    InChI=1S/C29H35ClFN7O3/c1-7-27(39)34-22-14-23(25(41-6)15-24(22)38-11-9-17(16-38)37(4)5)35-28-32-10-8-26(36-28)33-21-13-19(30)20(31)12-18(21)29(2,3)40/h7-8,10,12-15,17,40H,1,9,11,16H2,2-6H3,(H,34,39)(H2,32,33,35,36)/t17-/m1/s1
    2.1.3 InChI Key
    BTMKEDDEMKKSEF-QGZVFWFLSA-N
    2.1.4 Canonical SMILES
    CC(C)(C1=CC(=C(C=C1NC2=NC(=NC=C2)NC3=C(C=C(C(=C3)NC(=O)C=C)N4CCC(C4)N(C)C)OC)Cl)F)O
    2.1.5 Isomeric SMILES
    CC(C)(C1=CC(=C(C=C1NC2=NC(=NC=C2)NC3=C(C=C(C(=C3)NC(=O)C=C)N4CC[C@H](C4)N(C)C)OC)Cl)F)O
    2.2 Other Identifiers
    2.2.1 UNII
    L1Q2K5JYO8
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Sunvozertinib [inn]

    2. L1q2k5jyo8

    3. 2370013-12-8

    4. Dzd9008

    5. 2-propenamide, N-(5-((4-((5-chloro-4-fluoro-2-(1-hydroxy-1-methylethyl)phenyl)amino)-2-pyrimidinyl)amino)-2-((3r)-3-(dimethylamino)-1-pyrrolidinyl)-4-methoxyphenyl)-

    6. Unii-l1q2k5jyo8

    7. Schembl21232131

    8. Gtpl11672

    9. Glxc-25829

    10. Ex-a6612

    11. Example 52 [wo2019149164a1]

    12. Hy-132842

    13. Cs-0204146

    14. N-[5-[[4-[5-chloro-4-fluoro-2-(2-hydroxypropan-2-yl)anilino]pyrimidin-2-yl]amino]-2-[(3r)-3-(dimethylamino)pyrrolidin-1-yl]-4-methoxyphenyl]prop-2-enamide

    2.4 Create Date
    2019-11-02
    3 Chemical and Physical Properties
    Molecular Weight 584.1 g/mol
    Molecular Formula C29H35ClFN7O3
    XLogP35
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count10
    Exact Mass583.2473939 g/mol
    Monoisotopic Mass583.2473939 g/mol
    Topological Polar Surface Area115 Ų
    Heavy Atom Count41
    Formal Charge0
    Complexity885
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1