Please Wait
Applying Filters...
menu
    • menu
    DRL offers a portfolio of products & services, including APIs, CMO services, generics, biosimilars & differentiated formulations.

    Virtual Booth

    Contact Supplier

    Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2024-10-07

    Virtual Booth

    Contact Supplier

    With Fermion, start the journey of your innovative API.

    Virtual Booth

    Contact Supplier

    Bloomage is a one-stop source for CEP Sodium Hyaluronate and Hyaluronic Acid// FDA-inspected & GMP-certified.

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2024-10-07

    Virtual Booth

    Contact Supplier

    Menu

    CAS 13957-31-8

    BUILDING BLOCK

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: 13957-31-8, Thiouridine, Uridine, 4-thio-, 4-thio-uridine, 1-((2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-4-thioxo-3,4-dihydropyrimidin-2(1h)-one, U9tyq2r33j
    Molecular Formula
    C9H12N2O5S
    Molecular Weight
    260.27  g/mol
    InChI Key
    ZLOIGESWDJYCTF-XVFCMESISA-N
    FDA UNII
    U9TYQ2R33J
    A photoactivable URIDINE analog that is used as an affinity label.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one
    2.1.2 InChI
    InChI=1S/C9H12N2O5S/c12-3-4-6(13)7(14)8(16-4)11-2-1-5(17)10-9(11)15/h1-2,4,6-8,12-14H,3H2,(H,10,15,17)/t4-,6-,7-,8-/m1/s1
    2.1.3 InChI Key
    ZLOIGESWDJYCTF-XVFCMESISA-N
    2.1.4 Canonical SMILES
    C1=CN(C(=O)NC1=S)C2C(C(C(O2)CO)O)O
    2.1.5 Isomeric SMILES
    C1=CN(C(=O)NC1=S)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    U9TYQ2R33J
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4 Thiouridine

    2. Thiouridine

    2.3.2 Depositor-Supplied Synonyms

    1. 13957-31-8

    2. Thiouridine

    3. Uridine, 4-thio-

    4. 4-thio-uridine

    5. 1-((2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-4-thioxo-3,4-dihydropyrimidin-2(1h)-one

    6. U9tyq2r33j

    7. 1-beta-d-ribofuranosyl-4-thiouracil

    8. Mfcd00006538

    9. 1-(beta-d-ribofuranosyl)-4-thioxo-3,4-dihydropyrimidin-2(1h)-one

    10. S4u

    11. Thiouridine (van)

    12. Nsc-518132

    13. 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one

    14. 4-thioribothymidine

    15. Einecs 237-735-3

    16. Nsc 518132

    17. Unii-u9tyq2r33j

    18. 4-thiouridine, >=98%

    19. Schembl34577

    20. Chebi:20480

    21. Dtxsid30930508

    22. Ex-a3667

    23. Zinc13518039

    24. Cs-w012509

    25. Hy-w011793

    26. As-56720

    27. A51147

    28. A855708

    29. Q20890501

    30. 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidene-1,2,3,4-tetrahydropyrimidin-2-one

    31. 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-thioxo-pyrimidin-2-one

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 260.27 g/mol
    Molecular Formula C9H12N2O5S
    XLogP3-1.4
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count2
    Exact Mass260.04669266 g/mol
    Monoisotopic Mass260.04669266 g/mol
    Topological Polar Surface Area134 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity374
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Affinity Labels

    Analogs of those substrates or compounds which bind naturally at the active sites of proteins, enzymes, antibodies, steroids, or physiological receptors. These analogs form a stable covalent bond at the binding site, thereby acting as inhibitors of the proteins or steroids. (See all compounds classified as Affinity Labels.)

    Antimetabolites

    Drugs that are chemically similar to naturally occurring metabolites, but differ enough to interfere with normal metabolic pathways. (From AMA Drug Evaluations Annual, 1994, p2033) (See all compounds classified as Antimetabolites.)