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    Technical details about 284490-13-7, learn more about the structure, uses, toxicity, action, side effects and more

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    284490-13-7

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    2D Structure
    Also known as: 284490-13-7, Forodesine hcl, Forodesine (hydrochloride), Bcx-1777, Bcx-1777 hydrochloride, 6sn82y9u73
    Molecular Formula
    C11H15ClN4O4
    Molecular Weight
    302.71  g/mol
    InChI Key
    WEIAMZKHBCLFOG-QPAIBFMUSA-N
    FDA UNII
    6SN82Y9U73
    Forodesine Hydrochloride is the hydrochloride salt of the synthetic high-affinity transition-state analogue forodesine. Forodesine binds preferentially to and inhibits purine nucleotide phosphorylase (PNP), resulting in the accumulation of deoxyguanosine triphosphate and the subsequent inhibition of the enzyme ribonucleoside diphosphate reductase and DNA synthesis. This agent selectively causes apoptosis in stimulated or malignant T-lymphocytes. A transition state analogue is a substrate designed to mimic the properties or the geometry of the transition state of reaction.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;hydrochloride
    2.1.2 InChI
    InChI=1S/C11H14N4O4.ClH/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19;/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19);1H/t5-,7+,9-,10+;/m1./s1
    2.1.3 InChI Key
    WEIAMZKHBCLFOG-QPAIBFMUSA-N
    2.1.4 Canonical SMILES
    C1=C(C2=C(N1)C(=O)NC=N2)C3C(C(C(N3)CO)O)O.Cl
    2.1.5 Isomeric SMILES
    C1=C(C2=C(N1)C(=O)NC=N2)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    6SN82Y9U73
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-(9-deazahypoxanthin-9-yl)-1,4-dideoxy-1,4-iminoribitol

    2. Bcx-1777

    3. Bcx1777

    4. Forodesine

    5. Immh Cpd

    6. Immucillin H

    7. Immucillin-h

    2.3.2 Depositor-Supplied Synonyms

    1. 284490-13-7

    2. Forodesine Hcl

    3. Forodesine (hydrochloride)

    4. Bcx-1777

    5. Bcx-1777 Hydrochloride

    6. 6sn82y9u73

    7. (-)-7-((2s,3s,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl)-1,5-dihydro-4h-pyrrolo(3,2-d)pyrimidin-4-one Monohydrochloride

    8. 4h-pyrrolo(3,2-d)pyrimidin-4-one, 7-((2s,3s,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl)-1,5-dihydro-, Monohydrochloride

    9. 7-[(2s,3s,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;hydrochloride

    10. Immucillin-h Hydrochloride

    11. Unii-6sn82y9u73

    12. Forodesine Hydrochloride [usan]

    13. Forodesine Hydrochloride [usan:jan]

    14. Forodesinehydrochloride

    15. Chembl550755

    16. Schembl1949526

    17. Schembl15525350

    18. Dtxsid90182647

    19. Forodesine Hydrochloride (jan/usan)

    20. Forodesine Hydrochloride [mi]

    21. Forodesine Hydrochloride [jan]

    22. Cs-3780

    23. Forodesine Hydrochloride [mart.]

    24. Forodesine Hydrochloride [who-dd]

    25. Hy-16209

    26. D04245

    27. Q27265452

    28. 7-((2s,3s,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl)-3h-pyrrolo[3,2-d]pyrimidin-4-(5h)-one Hydrochloride

    29. 7-[(2s,3s,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;hydrochloride

    2.4 Create Date
    2019-01-15
    3 Chemical and Physical Properties
    Molecular Weight 302.71 g/mol
    Molecular Formula C11H15ClN4O4
    Hydrogen Bond Donor Count7
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count2
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area130
    Heavy Atom Count20
    Formal Charge0
    Complexity404
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Drug and Medication Information
    4.1 Drug Indication

    Treatment of Cutaneous T-Cell Lymphoma