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    Olutasidenib

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    FINISHED DOSAGE FORMULATIONS

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    2D Structure
    Also known as: 1887014-12-1, Ft-2102, Olutasidenib [usan], Olutasidenib (ft-2102), 0t4imt8s5z, 5-[[(1s)-1-(6-chloro-2-oxo-1h-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile
    Molecular Formula
    C18H15ClN4O2
    Molecular Weight
    354.8  g/mol
    InChI Key
    NEQYWYXGTJDAKR-JTQLQIEISA-N
    FDA UNII
    0T4IMT8S5Z
    Olutasidenib is an orally available inhibitor of isocitrate dehydrogenase type 1 (IDH1; IDH-1; IDH1 [NADP+] soluble) with a mutation at arginine (R) 132, IDH1(R132), with potential antineoplastic activity. Upon administration, olutasidenib specifically inhibits IDH1(R132), thereby inhibiting the formation of the oncometabolite 2-hydroxyglutarate (2HG) from alpha-ketoglutarate (a-KG). This prevents 2HG-mediated signaling and leads to both an induction of cellular differentiation and an inhibition of cellular proliferation in tumor cells expressing IDH(R132). IDH1(R132) mutations are highly expressed in certain malignancies, including gliomas; they initiate and drive cancer growth by both blocking cell differentiation and catalyzing the formation of 2HG.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile
    2.1.2 InChI
    InChI=1S/C18H15ClN4O2/c1-10(21-16-6-4-13(9-20)23(2)18(16)25)14-8-11-7-12(19)3-5-15(11)22-17(14)24/h3-8,10,21H,1-2H3,(H,22,24)/t10-/m0/s1
    2.1.3 InChI Key
    NEQYWYXGTJDAKR-JTQLQIEISA-N
    2.1.4 Canonical SMILES
    CC(C1=CC2=C(C=CC(=C2)Cl)NC1=O)NC3=CC=C(N(C3=O)C)C#N
    2.1.5 Isomeric SMILES
    C[C@@H](C1=CC2=C(C=CC(=C2)Cl)NC1=O)NC3=CC=C(N(C3=O)C)C#N
    2.2 Other Identifiers
    2.2.1 UNII
    0T4IMT8S5Z
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 5-((1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl)amino)-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile

    2. Ft-2102

    2.3.2 Depositor-Supplied Synonyms

    1. 1887014-12-1

    2. Ft-2102

    3. Olutasidenib [usan]

    4. Olutasidenib (ft-2102)

    5. 0t4imt8s5z

    6. 5-[[(1s)-1-(6-chloro-2-oxo-1h-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile

    7. (s)-5-((1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl)amino)-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile

    8. Ft2102

    9. 2-pyridinecarbonitrile, 5-(((1s)-1-(6-chloro-1,2-dihydro-2-oxo-3-quinolinyl)ethyl)amino)-1,6-dihydro-1-methyl-6-oxo-

    10. 5-(((1s)-1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl)amino)-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile

    11. 5-{[(1s)-1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]amino}-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile

    12. 5-[[(1s)-1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]amino]-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile

    13. Olutasidenib [inn]

    14. Unii-0t4imt8s5z

    15. Olutasidenib [who-dd]

    16. Chembl4297610

    17. Schembl17603134

    18. Gtpl10319

    19. Amy16919

    20. Ex-a4523

    21. Bdbm50506474

    22. Example 26 [us9834539b2]

    23. Nsc818621

    24. S8949

    25. Ft-2102ft-2102

    26. Nsc-818621

    27. Ac-36556

    28. Hy-114226

    29. Cs-0080183

    30. D87221

    31. 5-((1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl)amino)-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile

    32. Pwv

    2.4 Create Date
    2016-04-09
    3 Chemical and Physical Properties
    Molecular Weight 354.8 g/mol
    Molecular Formula C18H15ClN4O2
    XLogP32.5
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass354.0883534 g/mol
    Monoisotopic Mass354.0883534 g/mol
    Topological Polar Surface Area85.2 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity745
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1