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    Farudodstat

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    2D Structure
    Also known as: Farudodstat, 1035688-66-4, Aslan-003, I58we41h6x, 2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid, 2-[(3,5-difluoro-3'-methoxy[1,1'-biphenyl]-4-yl)amino]-3-pyridinecarboxylic acid
    Molecular Formula
    C19H14F2N2O3
    Molecular Weight
    356.3  g/mol
    InChI Key
    OMPATGZMNFWVOH-UHFFFAOYSA-N
    FDA UNII
    I58WE41H6X
    Farudodstat is an orally available inhibitor of dihydroorotate dehydrogenase (DHODH), with potential antineoplastic activity. Upon administration, farudodstat specifically targets, binds to and prevents the activation of DHODH, thereby preventing the fourth enzymatic step in de novo pyrimidine synthesis. This prevents uridine monophosphate (UMP) formation, DNA synthesis, cell division and cellular proliferation, causes reactive oxygen species (ROS) formation, enables differentiation and induces apoptosis in susceptible tumor cells. DHODH, a mitochondrial enzyme, catalyzes the conversion of dihydroorotate (DHO) to orotate in the endogenous synthesis of UMP.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid
    2.1.2 InChI
    InChI=1S/C19H14F2N2O3/c1-26-13-5-2-4-11(8-13)12-9-15(20)17(16(21)10-12)23-18-14(19(24)25)6-3-7-22-18/h2-10H,1H3,(H,22,23)(H,24,25)
    2.1.3 InChI Key
    OMPATGZMNFWVOH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC=CC(=C1)C2=CC(=C(C(=C2)F)NC3=C(C=CC=N3)C(=O)O)F
    2.2 Other Identifiers
    2.2.1 UNII
    I58WE41H6X
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-((3,5-difluoro-3'-methoxy-1,1'-biphenyl-4-yl)amino)nicotinic Acid

    2.3.2 Depositor-Supplied Synonyms

    1. Farudodstat

    2. 1035688-66-4

    3. Aslan-003

    4. I58we41h6x

    5. 2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic Acid

    6. 2-[(3,5-difluoro-3'-methoxy[1,1'-biphenyl]-4-yl)amino]-3-pyridinecarboxylic Acid

    7. 2-(3,5-difluoro-3'-methoxybiphenyl-4-ylamino)nicotinic Acid

    8. 2-((3,5-difluoro-3'-methoxy-[1,1'-biphenyl]-4-yl)amino)nicotinic Acid

    9. 2-((3,5-difluoro-3'-methoxy(1,1'-biphenyl)-4-yl)amino)-3-pyridinecarboxylic Acid

    10. 3-pyridinecarboxylic Acid, 2-((3,5-difluoro-3'-methoxy(1,1'-biphenyl)-4-yl)amino)-

    11. Farudodstat [inn]

    12. Asaln003

    13. Unii-i58we41h6x

    14. Schembl355081

    15. Chembl2263632

    16. Gtpl12106

    17. Bdbm119812

    18. 2-[(3,5-difluoro-3'-methoxy-4-biphenylyl)amino]nicotinic Acid

    19. Ex-a4313

    20. Las186323

    21. Mfcd32215342

    22. S9721

    23. Ac-36562

    24. Sy270741

    25. Hy-129239

    26. Cs-0104387

    27. Us8691852, 20

    28. 2-((3,5-difluoro-3'-methoxy-[1,1'-biphenyl]-4-yl)amino)nicotinicacid

    29. 2-[(3,5-difluoro-3'-methoxy-1,1'-biphenyl-4-yl)amino]nicotinic Acid

    30. 2-[(3,5-difluoro-3 Inverted Exclamation Mark -methoxy-4-biphenylyl)amino]nicotinic Acid

    2.4 Create Date
    2008-10-27
    3 Chemical and Physical Properties
    Molecular Weight 356.3 g/mol
    Molecular Formula C19H14F2N2O3
    XLogP34.6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count5
    Exact Mass356.09724864 g/mol
    Monoisotopic Mass356.09724864 g/mol
    Topological Polar Surface Area71.4 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity470
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1