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    MRTX 1719

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Mrtx1719, 2630904-44-6, Benzonitrile, 2-(4-(4-(aminomethyl)-1,2-dihydro-1-oxo-6-phthalazinyl)-1-methyl-1h-pyrazol-5-yl)-4-chloro-6-(cyclopropyloxy)-3-fluoro-, (2s)-, (m)-27, 2-[4-[4-(aminomethyl)-1-oxo-2h-phthalazin-6-yl]-2-methylpyrazol-3-yl]-4-chloro-6-cyclopropyloxy-3-fluorobenzonitrile, 2-(4-(4-(aminomethyl)-1-oxo-2h-phthalazin-6-yl)-2-methylpyrazol-3-yl)-4-chloro-6-cyclopropyloxy-3-fluorobenzonitrile
    Molecular Formula
    C23H18ClFN6O2
    Molecular Weight
    464.9  g/mol
    InChI Key
    BZKIOORWZAXIBA-UHFFFAOYSA-N
    FDA UNII
    UHN5PKM648
    PRMT5 Inhibitor BMS-986504 is an orally bioavailable methylthioadenosine (MTA)-selective inhibitor of the protein arginine methyltransferase 5 (PRMT5), with potential antineoplastic activity. Upon oral administration, PRMT5 inhibitor BMS-986504 targets, binds to and inhibits PRMT5 that is bound to MTA, a complex that is elevated in methylthioadenosine phosphorylase (MTAP)-deleted cancer cells, thereby specifically inhibiting the function of PRMT5 solely within MTAP-deleted cancer cells and not in normal, healthy cells. By inhibiting the methyltransferase activity of PRMT5, levels of both monomethylated and dimethylated arginine residues in histones H2A, H3 and H4 are decreased. This modulates the expression of genes involved in several cellular processes, including cellular proliferation. This may increase the expression of antiproliferative genes and/or decrease the expression of genes that promote cell proliferation, which may lead to decreased growth of rapidly proliferating cancer cells. BMS-986504 also causes dysregulated RNA splicing and decreased retinoblastoma protein (pRb). Together, this decreases proliferation and increases apoptosis specifically in MTAP-deleted cancer cells. PRMT5, a type II methyltransferase that catalyzes the formation of both omega-N monomethylarginine (MMA) and symmetric dimethylarginine (sDMA) on histones and a variety of other protein substrates involved in signal transduction and cellular transcription, is essential for the viability of cancer and normal cells. It is overexpressed in several neoplasms. Elevated levels are associated with decreased patient survival. MTAP is deleted in certain cancer cells leading to an accumulation of the metabolite MTA; MTA binds to and partially inhibits the activity of PRMT5.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[4-[4-(aminomethyl)-1-oxo-2H-phthalazin-6-yl]-1-methylpyrazol-5-yl]-4-chloro-6-cyclopropyloxy-3-fluorobenzonitrile
    2.1.2 InChI
    InChI=1S/C23H18ClFN6O2/c1-31-22(20-15(8-26)19(33-12-3-4-12)7-17(24)21(20)25)16(10-28-31)11-2-5-13-14(6-11)18(9-27)29-30-23(13)32/h2,5-7,10,12H,3-4,9,27H2,1H3,(H,30,32)
    2.1.3 InChI Key
    BZKIOORWZAXIBA-UHFFFAOYSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    UHN5PKM648
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Mrtx1719

    2. 2630904-44-6

    3. Benzonitrile, 2-(4-(4-(aminomethyl)-1,2-dihydro-1-oxo-6-phthalazinyl)-1-methyl-1h-pyrazol-5-yl)-4-chloro-6-(cyclopropyloxy)-3-fluoro-, (2s)-

    4. (m)-27

    5. 2-[4-[4-(aminomethyl)-1-oxo-2h-phthalazin-6-yl]-2-methylpyrazol-3-yl]-4-chloro-6-cyclopropyloxy-3-fluorobenzonitrile

    6. 2-(4-(4-(aminomethyl)-1-oxo-2h-phthalazin-6-yl)-2-methylpyrazol-3-yl)-4-chloro-6-cyclopropyloxy-3-fluorobenzonitrile

    7. Refchem:201848

    8. Mrtx 1719

    9. Prmt5-mta Inhibitor Mrtx1719

    10. Prmt5-mta Complex Inhibitor Mrtx1719

    11. Mta-cooperative Prmt5 Inhibitor Mrtx1719

    12. 2630904-45-7

    13. (s)-mrtx-1719

    14. Navlimetostat

    15. Ay4a8wd6js

    16. Unii-ay4a8wd6js

    17. (2r)-2-(4-(4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl)-1-methyl-1h-pyrazol-5-yl)-4-chloro-6-cyclopropoxy-3-fluorobenzonitrile

    18. 2-(4-(4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl)-1-methyl-1h-pyrazol-5-yl)-4-chloro-6-cyclopropoxy-3-fluorobenzonitrile

    19. 2629314-96-9

    20. Benzonitrile, 2-(4-(4-(aminomethyl)-1,2-dihydro-1-oxo-6-phthalazinyl)-1-methyl-1h-pyrazol-5-yl)-4-chloro-6-(cyclopropyloxy)-3-fluoro-, (2r)-

    21. Benzonitrile, 2-[4-[4-(aminomethyl)-1,2-dihydro-1-oxo-6-phthalazinyl]-1-methyl-1h-pyrazol-5-yl]-4-chloro-6-(cyclopropyloxy)-3-fluoro-, (2r)-

    22. Navlimetostat [inn]

    23. Mrtx1719 Racemate

    24. Mrtx1719 Hcl

    25. Uhn5pkm648

    26. C23h18clfn6o2

    27. Mrtx-1719 Hcl

    28. Orb1303284

    29. Chembl5075255

    30. Schembl23087302

    31. Schembl29735316

    32. Ex-a5505a

    33. Ex-a5505b

    34. Gtpl12116

    35. Wlz3536

    36. Glxc-25300

    37. Mrtx-1719?

    38. Ex-a5505

    39. Mfcd34604075

    40. Nsc840578

    41. Nsc841295

    42. Akos040757913

    43. Hy-139611b

    44. Nsc-840578

    45. Nsc-841295

    46. Ac-36984

    47. Da-69270

    48. Da-75760

    49. Ms-28566

    50. Sy310874

    51. Hy-139611

    52. Cs-0226219

    53. Cs-0343422

    54. F78345

    55. (2m)-2-(4-(4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl)-1-methyl-1h-pyrazol-5-yl)-4-chloro-6-cyclopropoxy-3-fluorobenzonitrile

    56. 2-[4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-5-pyrazolyl]-4-chloro-6-cyclopropoxy-3-fluorobenzonitrile

    57. 2-[4-[4-(aminomethyl)-1-oxo-2h-phthalazin-6-yl]-2-methyl-pyrazol-3-yl]-4-chloro-6-(cyclopropoxy)-3-fluoro-benzonitrile

    58. Benzonitrile, 2-[4-[4-(aminomethyl)-1,2-dihydro-1-oxo-6-phthalazinyl]-1-methyl-1h-pyrazol-5-yl]-4-chloro-6-(cyclopropyloxy)-3-fluoro-

    2.4 Create Date
    2021-08-21
    3 Chemical and Physical Properties
    Molecular Weight 464.9 g/mol
    Molecular Formula C23H18ClFN6O2
    XLogP32.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count5
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area118
    Heavy Atom Count33
    Formal Charge0
    Complexity846
    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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