loader
Please Wait
Applying Filters...
menu
    • menu

    Technical details about Dolastatin 15, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    EUROAPI, the leading small molecules API player, provides both API sales & CDMO services.

    Virtual Booth

    Contact Supplier

    Bora Pharmaceuticals- Making success more certain.

    Virtual Booth

    Contact Supplier

    Polfa Tarchomin is a leading Polish pharmaceutical company with 200 year tradition in manufacture and sale of pharmaceutical products.

    Virtual Booth

    Contact Supplier

    Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

    Virtual Booth

    Contact Supplier

    Axplora- The partner of choice for complex APIs.

    Virtual Booth

    Contact Supplier

    Fareva is a one-stop-shop for API/HPAPI, OSD & Sterile products, is USFDA, EMA and PMDA-inspected and has multiple NDA & ANDA filings.

    Virtual Booth

    Contact Supplier

    Menu

    Dolastatin 15

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: 123884-00-4, Dolostatin 15, J9zks885h5, Nsc 617668, (s)-1-((s)-2-benzyl-3-methoxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl)-3-methyl-1-oxobutan-2-yl n-dimethyl-l-valyl-l-valyl-n-methyl-l-valyl-l-prolyl-l-prolinate, L-proline, n,n-dimethyl-l-valyl-l-valyl-n-methyl-l-valyl-l-prolyl-, (1s)-1-[[(2s)-2,5-dihydro-3-methoxy-5-oxo-2-(phenylmethyl)-1h-pyrrol-1-yl]carbonyl]-2-methylpropyl ester
    Molecular Formula
    C45H68N6O9
    Molecular Weight
    837.1  g/mol
    InChI Key
    LQKSHSFQQRCAFW-CCVNJFHASA-N
    FDA UNII
    J9ZKS885H5
    Dolastatin 15 is a depsipeptide originally isolated from the marine mollusk Dolabella auricularia with potential antineoplastic activity. Less potent than the structurally-related compound dolastatin 10, dolastatin 15 binds weakly to tubulin and blocks microtubule assembly, thereby inhibiting mitosis. Dolastatin 15 also induces tumor cell apoptosis through a mechanism involving bcl-2, an oncoprotein that is overexpressed in some cancers. (NCI04)
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(2S)-1-[(2S)-2-benzyl-3-methoxy-5-oxo-2H-pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl] (2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
    2.1.2 InChI
    InChI=1S/C45H68N6O9/c1-26(2)36(46-40(53)37(27(3)4)47(9)10)42(55)48(11)38(28(5)6)43(56)49-22-16-20-31(49)41(54)50-23-17-21-32(50)45(58)60-39(29(7)8)44(57)51-33(34(59-12)25-35(51)52)24-30-18-14-13-15-19-30/h13-15,18-19,25-29,31-33,36-39H,16-17,20-24H2,1-12H3,(H,46,53)/t31-,32-,33-,36-,37-,38-,39-/m0/s1
    2.1.3 InChI Key
    LQKSHSFQQRCAFW-CCVNJFHASA-N
    2.1.4 Canonical SMILES
    CC(C)C(C(=O)N(C)C(C(C)C)C(=O)N1CCCC1C(=O)N2CCCC2C(=O)OC(C(C)C)C(=O)N3C(C(=CC3=O)OC)CC4=CC=CC=C4)NC(=O)C(C(C)C)N(C)C
    2.1.5 Isomeric SMILES
    CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)O[C@@H](C(C)C)C(=O)N3[C@H](C(=CC3=O)OC)CC4=CC=CC=C4)NC(=O)[C@H](C(C)C)N(C)C
    2.2 Other Identifiers
    2.2.1 UNII
    J9ZKS885H5
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Nsc 617668

    2.3.2 Depositor-Supplied Synonyms

    1. 123884-00-4

    2. Dolostatin 15

    3. J9zks885h5

    4. Nsc 617668

    5. (s)-1-((s)-2-benzyl-3-methoxy-5-oxo-2,5-dihydro-1h-pyrrol-1-yl)-3-methyl-1-oxobutan-2-yl N-dimethyl-l-valyl-l-valyl-n-methyl-l-valyl-l-prolyl-l-prolinate

    6. L-proline, N,n-dimethyl-l-valyl-l-valyl-n-methyl-l-valyl-l-prolyl-, (1s)-1-[[(2s)-2,5-dihydro-3-methoxy-5-oxo-2-(phenylmethyl)-1h-pyrrol-1-yl]carbonyl]-2-methylpropyl Ester

    7. Nsc-617668

    8. L-proline, N,n-dimethyl-l-valyl-l-valyl-n-methyl-l-valyl-l-prolyl-, (1s)-1-(((2s)-2,5-dihydro-3-methoxy-5-oxo-2-(phenylmethyl)-1h-pyrrol-1-yl)carbonyl)-2-methylpropyl Ester

    9. Mfcd00236968

    10. Unii-j9zks885h5

    11. Dolastatin 15, >=95%

    12. Chembl35769

    13. Schembl187502

    14. Dls-15

    15. Dtxsid30924629

    16. Hy-p1126

    17. Bdbm50472220

    18. Zinc95611960

    19. Cs-0027988

    20. J-004993

    21. [(2s)-1-[(2s)-2-benzyl-3-methoxy-5-oxo-2h-pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl] (2s)-1-[(2s)-1-[(2s)-2-[[(2s)-2-[[(2s)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate

    22. L-proline, 1-(1-(n-(n-(n,n-dimethyl-l-valyl)-l-valyl)-n-methyl-l-valyl)-l-prolyl)-, 1-((2,5-dihydro-3-methoxy-5-oxo-2-(phenylmethyl)-1h-pyrrol-1-yl)carbonyl)-2-methylpropyl Ester, (s-(r*,r*))-

    23. L-proline, 1-(1-(n-(n-(n,n-dimethyl-l-valyl)-l-valyl)-n-methyl-l-valyl)-l-propyl)-, 1-((2,5-dihydro-3-methoxy-5-oxo-2-(phenylmethyl)-1h-pyrrol-1-yl)carbonyl)-2-methylpropyl Ester, (s-(r*,r*))-

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 837.1 g/mol
    Molecular Formula C45H68N6O9
    XLogP35.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count18
    Exact Mass836.50477777 g/mol
    Monoisotopic Mass836.50477777 g/mol
    Topological Polar Surface Area166 Ų
    Heavy Atom Count60
    Formal Charge0
    Complexity1600
    Isotope Atom Count0
    Defined Atom Stereocenter Count7
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1