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    Technical details about 5-Aza-t-dcyd, learn more about the structure, uses, toxicity, action, side effects and more

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    5-Aza-t-dcyd

    APIs // Active Pharmaceutical Ingredients

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    2D Structure
    1. Also known as: 5-aza-t-dcyd, U2ptn0rzf6, 169514-76-5, 4-amino-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-1,3,5-triazin-2-one, Unii-u2ptn0rzf6, Schembl19244084
    Molecular Formula
    C8H12N4O3S
    Molecular Weight
    244.27  g/mol
    InChI Key
    HOOZQNOZVFCJNL-KVQBGUIXSA-N
    FDA UNII
    U2PTN0RZF6
    5-Aza-4'-thio-2'-deoxycytidine is an orally bioavailable, nucleoside analog and DNA methyltransferase I (DNMT1) inhibitor, with potential DNA hypomethylating and antineoplastic activities. Upon administration, 5-aza-4'-thio-2'-deoxycytidine (Aza-TdC) gets incorporated into DNA, where it binds to the active site of DNMT1, a maintenance methyltransferase that contributes to the hypermethylation and silencing of tumor suppressor genes. The formation of covalent DNMT1-DNA complexes inhibits DNMT1, prevents DNA methylation of CpG sites, causes CpG demethylation, and results in the re-expression and re-activation of silenced tumor suppressor genes. This inhibits tumor cell proliferation. DNMT1, overactivated in tumor cells, plays a key role in tumor cell proliferation.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-1,3,5-triazin-2-one
    2.1.2 InChI
    InChI=1S/C8H12N4O3S/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5+,6+/m0/s1
    2.1.3 InChI Key
    HOOZQNOZVFCJNL-KVQBGUIXSA-N
    2.1.4 Canonical SMILES
    C1C(C(SC1N2C=NC(=NC2=O)N)CO)O
    2.1.5 Isomeric SMILES
    C1[C@@H]([C@H](S[C@H]1N2C=NC(=NC2=O)N)CO)O
    2.2 Other Identifiers
    2.2.1 UNII
    U2PTN0RZF6
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 5-aza-t-dcyd

    2. U2ptn0rzf6

    3. 169514-76-5

    4. 4-amino-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-1,3,5-triazin-2-one

    5. Unii-u2ptn0rzf6

    6. Schembl19244084

    7. 4-amino-1(2'-deoxy-4-thio-.beta.-d-erythropentofuranosyl)-1,3,5-triazin-2(1h)-one

    8. 1-[4alpha-hydroxy-5beta-(hydroxymethyl)tetrahydrothiophene-2beta-yl]-4-amino-1,3,5-triazine-2(1h)-one

    9. 4-amino-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]-1,3,5-triazin-2-one

    2.4 Create Date
    2005-10-07
    3 Chemical and Physical Properties
    Molecular Weight 244.27 g/mol
    Molecular Formula C8H12N4O3S
    XLogP3-0.8
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass244.06301143 g/mol
    Monoisotopic Mass244.06301143 g/mol
    Topological Polar Surface Area137 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity359
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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