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    Reproxalap

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    DIGITAL CONTENT

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    2D Structure
    Also known as: Reproxalap, Adx-102, 916056-79-6, Reproxalap [usan], Ns-2, Ald-102
    Molecular Formula
    C12H13ClN2O
    Molecular Weight
    236.70  g/mol
    InChI Key
    GUHFUVLKYSQIOQ-UHFFFAOYSA-N
    FDA UNII
    F0GIZ22IJH
    Reproxalap (previously ADX 102 or NS-2) is a small molecule inhibitor being developed by Aldeyra Therapeutics investigated against dry eye disease, allergic conjunctivitis, noninfectious anterior uveitis, and Sjgren-Larsson syndrome. NS-2 has orphan drug status due to it being investigated for treatment of Sjogren-Larsson syndrome.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(3-amino-6-chloroquinolin-2-yl)propan-2-ol
    2.1.2 InChI
    InChI=1S/C12H13ClN2O/c1-12(2,16)11-9(14)6-7-5-8(13)3-4-10(7)15-11/h3-6,16H,14H2,1-2H3
    2.1.3 InChI Key
    GUHFUVLKYSQIOQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C1=C(C=C2C=C(C=CC2=N1)Cl)N)O
    2.2 Other Identifiers
    2.2.1 UNII
    F0GIZ22IJH
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Adx-102

    2. Ald-102

    3. Reproxalap

    2.3.2 Depositor-Supplied Synonyms

    1. Reproxalap

    2. Adx-102

    3. 916056-79-6

    4. Reproxalap [usan]

    5. Ns-2

    6. Ald-102

    7. F0giz22ijh

    8. Reproxalap (usan)

    9. Ns2

    10. Reproxalap [inn]

    11. Unii-f0giz22ijh

    12. Adx102

    13. Chembl4297210

    14. Schembl12228833

    15. Gtpl10613

    16. Ex-a3715

    17. Sb18931

    18. Example 5 [wo2018039197a1]

    19. Hy-107150

    20. Cs-0027443

    21. D11309

    22. 2-(3-amino-6-chloroquinolin-2-yl)-propan-2-ol

    23. 2-quinolinemethanol, 3-amino-6-chloro-alpha,alpha-dimethyl-

    24. 2-quinolinemethanol, 3-amino-6-chloro-.alpha.,.alpha.-dimethyl-

    2.4 Create Date
    2007-06-18
    3 Chemical and Physical Properties
    Molecular Weight 236.70 g/mol
    Molecular Formula C12H13ClN2O
    XLogP32.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass236.0716407 g/mol
    Monoisotopic Mass236.0716407 g/mol
    Topological Polar Surface Area59.1 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity259
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 Mechanism of Action

    Reproxalap inhibits Reactive Aldehyde Species (RASP) and is being investigated against dry eye disease, allergic conjunctivitis, noninfectious anterior uveitis, and Sjgren-Larsson syndrome.