VLB

[(Science: drug, oncology) alkaloid (818D) isolated from Vinca (periwinkle): binds to tubulin heterodimer and induces formation of paracrystals rather than tubules. net result is that microtubules disappear as they disassemble and are not replaced. Used in tumour chemotherapy.

Molecular Formula: C₄₆H₅₈N₄O₉

InChI: InChI=1/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1

InChIKey: InChIKey=JXLYSJRDGCGARV-XQKSVPLYBI
SMILES: [H][C@@]12N(C)c3cc(OC)c(cc3[C@@]14CCN5CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]2(O)C(=O)OC)[C@@]45[H])[C@]6(C[C@@H]7C[N@H](CCc8c6[nH]c9ccccc89)C[C@](O)(CC)C7)C(=O)OC

CAS number 865-21-4

Names:
    NCI60_004200
    Vinblastine
    vincaleukoblastine
    VLB
    (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE

Registries:
    PubChem CID 241903
    Beilstein =4779207
    CAS 865-21-4 (from NIST)
    ChEBI 27375
    chemPDB VLB
    Kegg C07201
    PubChem ID 11408591
    PubChem ID 9410