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    Anle138b

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    PharmaCompass
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    2D Structure
    Also known as: 882697-00-9, Anle-138b, Emrusolmin, Emrusolmin [inn], 3-(1,3-benzodioxol-5-yl)-5-(3-bromophenyl)-1h-pyrazole, E7wra77jet
    Molecular Formula
    C16H11BrN2O2
    Molecular Weight
    343.17  g/mol
    InChI Key
    RCQIIBJSUWYYFU-UHFFFAOYSA-N
    FDA UNII
    E7WRA77JET
    anle138b restores hippocampal synaptic and transcriptional plasticity as well as spatial memory in a mouse model for Alzheimer's disease, when given orally before or after the onset of pathology.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-(1,3-benzodioxol-5-yl)-3-(3-bromophenyl)-1H-pyrazole
    2.1.2 InChI
    InChI=1S/C16H11BrN2O2/c17-12-3-1-2-10(6-12)13-8-14(19-18-13)11-4-5-15-16(7-11)21-9-20-15/h1-8H,9H2,(H,18,19)
    2.1.3 InChI Key
    RCQIIBJSUWYYFU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1OC2=C(O1)C=C(C=C2)C3=CC(=NN3)C4=CC(=CC=C4)Br
    2.2 Other Identifiers
    2.2.1 UNII
    E7WRA77JET
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3-(1,3-benzodioxol-5-yl)-5-(3-bromophenyl)-1h-pyrazole

    2.3.2 Depositor-Supplied Synonyms

    1. 882697-00-9

    2. Anle-138b

    3. Emrusolmin

    4. Emrusolmin [inn]

    5. 3-(1,3-benzodioxol-5-yl)-5-(3-bromophenyl)-1h-pyrazole

    6. E7wra77jet

    7. 5-(1,3-benzodioxol-5-yl)-3-(3-bromophenyl)-1h-pyrazole

    8. Chembl4748063

    9. 1h-pyrazole, 3-(1,3-benzodioxol-5-yl)-5-(3-bromophenyl)-

    10. 3-(benzo[d][1,3]dioxol-5-yl)-5-(3-bromophenyl)-1h-pyrazole

    11. Unii-e7wra77jet

    12. Anle 138b; Anle-138b

    13. Schembl1660250

    14. Schembl21440048

    15. Bcp32558

    16. Anle138b, >=98% (hplc)

    17. Bdbm50553260

    18. Nsc805132

    19. S6782

    20. Zinc68200503

    21. Akos037649277

    22. Cs-6522

    23. Db13927

    24. Nsc-805132

    25. Bs-17773

    26. Hy-101855

    27. D80685

    28. A858288

    29. 3-(1,3-benzodioxole-5-yl)-5-(3-bromophenyl)-1h-pyrazole

    2.4 Create Date
    2010-02-15
    3 Chemical and Physical Properties
    Molecular Weight 343.17 g/mol
    Molecular Formula C16H11BrN2O2
    XLogP34
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass342.00039 g/mol
    Monoisotopic Mass342.00039 g/mol
    Topological Polar Surface Area47.1 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity370
    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

    There is evidence that anle138b blocks the activity of conducting A pores without changing the membrane embedded A-oligomer structure.