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    ATG-017

    DEVELOPMENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Azd-0364, Azd0364, 2097416-76-5, Vo9kx45qiq, Chembl4482864, (6r)-7-[(3,4-difluorophenyl)methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
    Molecular Formula
    C24H24F2N8O2
    Molecular Weight
    494.5  g/mol
    InChI Key
    HVIGNZUDBVLTLU-MRXNPFEDSA-N
    FDA UNII
    VO9KX45QIQ
    Tizaterkib is an orally bioavailable inhibitor of the extracellular signal-regulated kinases 1 (ERK1) and 2 (ERK2), with potential antineoplastic activity. Upon oral administration, tizaterkib specifically targets, binds to and inhibits the activity of the serine/threonine-protein kinases ERK1 and ERK2, thereby preventing the phosphorylation of ERK1/2 substrates and the activation of mitogen-activated protein kinase (MAPK)/ERK-mediated signal transduction pathways. This results in the inhibition of ERK-dependent proliferation and survival of tumor cells. The MAPK/ERK pathway, also known as the RAS/RAF/MEK/ERK pathway, is hyperactivated in a variety of tumor cell types due to mutations in upstream targets. It plays a key role in the proliferation, differentiation and survival of tumor cells.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (6R)-7-[(3,4-difluorophenyl)methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
    2.1.2 InChI
    InChI=1S/C24H24F2N8O2/c1-14-9-27-24(30-20-6-7-28-32(20)2)31-21(14)19-12-33-11-16(13-36-3)34(23(35)22(33)29-19)10-15-4-5-17(25)18(26)8-15/h4-9,12,16H,10-11,13H2,1-3H3,(H,27,30,31)/t16-/m1/s1
    2.1.3 InChI Key
    HVIGNZUDBVLTLU-MRXNPFEDSA-N
    2.1.4 Canonical SMILES
    CC1=CN=C(N=C1C2=CN3CC(N(C(=O)C3=N2)CC4=CC(=C(C=C4)F)F)COC)NC5=CC=NN5C
    2.1.5 Isomeric SMILES
    CC1=CN=C(N=C1C2=CN3C[C@@H](N(C(=O)C3=N2)CC4=CC(=C(C=C4)F)F)COC)NC5=CC=NN5C
    2.2 Other Identifiers
    2.2.1 UNII
    VO9KX45QIQ
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (6r)-7-(3,4-difluorobenzyl)-6-(methoxymethyl)-2-(5-methyl-2-((1-methyl-1h-pyrazol-5-yl)amino)-4-pyrimidinyl)-6,7-dihydroimidazo(1,2-a)pyrazin-8(5h)-one

    2. Azd-0364

    3. Azd0364

    4. Imidazo(1,2-a)pyrazin-8(5h)-one, 7-((3,4-difluorophenyl)methyl)-6,7-dihydro-6-(methoxymethyl)-2-(5-methyl-2-((1-methyl-1h-pyrazol-5-yl)amino)-4-pyrimidinyl)-, (6r)-

    2.3.2 Depositor-Supplied Synonyms

    1. Azd-0364

    2. Azd0364

    3. 2097416-76-5

    4. Vo9kx45qiq

    5. Chembl4482864

    6. (6r)-7-[(3,4-difluorophenyl)methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one

    7. (r)-7-(3,4-difluorobenzyl)-6-(methoxymethyl)-2-(5-methyl-2-((1-methyl-1h-pyrazol-5-yl)amino)pyrimidin-4-yl)-6,7-dihydroimidazo[1,2-a]pyrazin-8(5h)-one

    8. (6~{r})-7-[[3,4-bis(fluoranyl)phenyl]methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one

    9. (r)-7-(3,4-difluorobenzyl)-6-(methoxymethyl)-2-(5-methyl-2-((1-methyl-1h-pyrazol-5-yl)amino)pyrimidin-4-yl)-6,7-dihydroimidazo(1,2-a)pyrazin-8(5h)-one

    10. Tizaterkib [inn]

    11. Unii-vo9kx45qiq

    12. Schembl18839079

    13. Gtpl11674

    14. Atg-017

    15. Amy14750

    16. Azd 0364

    17. Bcp29508

    18. Ex-a1812

    19. Bdbm50505988

    20. Mfcd31631580

    21. Nsc808790

    22. S8708

    23. Akos037648851

    24. Azd0364; Azd 0364

    25. At10135

    26. Azd0364 Pound Atg-017 Pound(c)

    27. Nsc-808790

    28. Ac-36188

    29. Ba166426

    30. Bs-15828

    31. Hy-111483

    32. Cs-0042190

    33. Q50825500

    34. Lhz

    2.4 Create Date
    2017-08-04
    3 Chemical and Physical Properties
    Molecular Weight 494.5 g/mol
    Molecular Formula C24H24F2N8O2
    XLogP32
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count7
    Exact Mass494.19902836 g/mol
    Monoisotopic Mass494.19902836 g/mol
    Topological Polar Surface Area103 Ų
    Heavy Atom Count36
    Formal Charge0
    Complexity768
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1