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    Thymopentin

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    GLOBAL SALES INFORMATION

    REF. STANDARDS & IMPURITIES

    PharmaCompass
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    2D Structure
    Also known as: 69558-55-0, Ncgc00166412-01, Specplus_000687, Spectrum4_001271, Arg-lys-asp-val-tyr-oh, Thymopentin acetate(tp-5)
    Molecular Formula
    C30H49N9O9
    Molecular Weight
    679.8  g/mol
    InChI Key
    PSWFFKRAVBDQEG-UHFFFAOYSA-N
    Synthetic pentapeptide corresponding to the amino acids 32-36 of thymopoietin and exhibiting the full biological activity of the natural hormone. It is an immunomodulator which has been studied for possible use in the treatment of rheumatoid arthritis, AIDS, and other primary immunodeficiencies.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[[6-amino-2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-4-[[1-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
    2.1.2 InChI
    InChI=1S/C30H49N9O9/c1-16(2)24(28(46)38-22(29(47)48)14-17-8-10-18(40)11-9-17)39-27(45)21(15-23(41)42)37-26(44)20(7-3-4-12-31)36-25(43)19(32)6-5-13-35-30(33)34/h8-11,16,19-22,24,40H,3-7,12-15,31-32H2,1-2H3,(H,36,43)(H,37,44)(H,38,46)(H,39,45)(H,41,42)(H,47,48)(H4,33,34,35)
    2.1.3 InChI Key
    PSWFFKRAVBDQEG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)N
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Pentapeptide, Thymopoietin

    2. Thymopentin

    3. Timunox

    4. Tp-5

    2.2.2 Depositor-Supplied Synonyms

    1. 69558-55-0

    2. Ncgc00166412-01

    3. Specplus_000687

    4. Spectrum4_001271

    5. Arg-lys-asp-val-tyr-oh

    6. Thymopentin Acetate(tp-5)

    7. Thymopoietin Ii-32-36)

    8. Kbiogr_001882

    9. Divk1c_006783

    10. Schembl989519

    11. Chembl1868258

    12. Kbio1_001727

    13. Dtxsid10860899

    14. Hms3369g09

    15. (3s)-3-[[(2s)-6-amino-2-[[(2s)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-4-[[(2s)-1-[[(1s)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic Acid

    16. Nsc645363

    17. Akos015961651

    18. Akos026750555

    19. Ac-8959

    20. Nsc-645363

    21. As-13028

    22. Dl-arginyl-dl-lysyl-dl-aspartyl-dl-valyl-dl-tyrosine

    23. J-011348

    24. N~5~-(diaminomethylidene)ornithyllysyl-alpha-aspartylvalyltyrosine

    25. L-tyrosine, N-[n-[n-(n2-l-arginyl-l-lysly)-l-.alpha.-aspartyl]-l-valyl]-

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 679.8 g/mol
    Molecular Formula C30H49N9O9
    XLogP3-6.4
    Hydrogen Bond Donor Count11
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count22
    Exact Mass679.36532417 g/mol
    Monoisotopic Mass679.36532417 g/mol
    Topological Polar Surface Area328 Ų
    Heavy Atom Count48
    Formal Charge0
    Complexity1110
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count5
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Adjuvants, Immunologic

    Substances that augment, stimulate, activate, potentiate, or modulate the immune response at either the cellular or humoral level. The classical agents (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contain bacterial antigens. Some are endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Their mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy of many biological response modifiers is related to their antigen-specific immunoadjuvanticity. (See all compounds classified as Adjuvants, Immunologic.)