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

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    Garsorasib

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    Biophore is a research-driven global pharmaceutical company focused on niche APIs for the generic industry.

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    2D Structure
    1. Also known as: Garsorasib [inn], 2559761-14-5, P491ne9g6z, Unii-p491ne9g6z, 4-((2s,5r)-4-acryloyl-2,5-dimethylpiperazin-1-yl)-7-(2-amino-6-fluorophenyl)-1-(4,6-dicyclopropylpyrimidin-5-yl)-6-fluoropyrido(2,3-d)pyrimidin-2(1h)-one, D-1553
    Molecular Formula
    C32H32F2N8O2
    Molecular Weight
    598.6  g/mol
    InChI Key
    DKFRWZJCNPETGI-SJORKVTESA-N
    FDA UNII
    P491NE9G6Z
    Garsorasib is an orally available inhibitor of the oncogenic KRAS substitution mutation, G12C, with potential antineoplastic activity. Upon oral administration, garsorasib selectively targets the KRAS G12C mutant and inhibits KRAS G12C mutant-dependent signaling. KRAS, a member of the RAS family of oncogenes, serves an important role in cell signaling, division and differentiation. Mutations of KRAS may induce constitutive signal transduction leading to tumor cell growth, proliferation, invasion, and metastasis.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    7-(2-amino-6-fluorophenyl)-1-(4,6-dicyclopropylpyrimidin-5-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoropyrido[2,3-d]pyrimidin-2-one
    2.1.2 InChI
    InChI=1S/C32H32F2N8O2/c1-4-24(43)40-13-17(3)41(14-16(40)2)30-20-12-22(34)28(25-21(33)6-5-7-23(25)35)38-31(20)42(32(44)39-30)29-26(18-8-9-18)36-15-37-27(29)19-10-11-19/h4-7,12,15-19H,1,8-11,13-14,35H2,2-3H3/t16-,17+/m1/s1
    2.1.3 InChI Key
    DKFRWZJCNPETGI-SJORKVTESA-N
    2.1.4 Canonical SMILES
    CC1CN(C(CN1C(=O)C=C)C)C2=NC(=O)N(C3=NC(=C(C=C32)F)C4=C(C=CC=C4F)N)C5=C(N=CN=C5C6CC6)C7CC7
    2.1.5 Isomeric SMILES
    C[C@@H]1CN([C@H](CN1C(=O)C=C)C)C2=NC(=O)N(C3=NC(=C(C=C32)F)C4=C(C=CC=C4F)N)C5=C(N=CN=C5C6CC6)C7CC7
    2.2 Other Identifiers
    2.2.1 UNII
    P491NE9G6Z
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Garsorasib [inn]

    2. 2559761-14-5

    3. P491ne9g6z

    4. Unii-p491ne9g6z

    5. 4-((2s,5r)-4-acryloyl-2,5-dimethylpiperazin-1-yl)-7-(2-amino-6-fluorophenyl)-1-(4,6-dicyclopropylpyrimidin-5-yl)-6-fluoropyrido(2,3-d)pyrimidin-2(1h)-one

    6. D-1553

    7. Pyrido(2,3-d)pyrimidin-2(1h)-one, 7-(2-amino-6-fluorophenyl)-1-(4,6-dicyclopropyl-5-pyrimidinyl)-4-((2s,5r)-2,5-dimethyl-4-(1-oxo-2-propen-1-yl)-1-piperazinyl)-6-fluoro-

    8. Garsorasib [who-dd]

    9. Chembl5095066

    10. Schembl22704797

    11. Glxc-26938

    12. Ex-a5695

    13. Akos040757847

    14. Ms-30601

    15. Hy-145571

    16. Cs-0376098

    17. D 1553

    18. 7-(2-amino-6-fluorophenyl)-1-(4,6-dicyclopropylpyrimidin-5-yl)-4-[(2s,5r)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoropyrido[2,3-d]pyrimidin-2-one

    2.4 Create Date
    2021-01-23
    3 Chemical and Physical Properties
    Molecular Weight 598.6 g/mol
    Molecular Formula C32H32F2N8O2
    XLogP33.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count6
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area121
    Heavy Atom Count44
    Formal Charge0
    Complexity1150
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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