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03. Biological Effects of Specific Chemicals
03. Biological Effects of Specific Chemicals
eribulin mesylate [CHEBI:70710] (1)
05. Industrial Uses
05. Industrial Uses
eribulin mesylate [CHEBI:70710] (1)
08. Chemical Category
08. Chemical Category
eribulin mesylate [CHEBI:70710] (1)
eribulin mesylate [CHEBI:70710] (1)
eribulin mesylate [CHEBI:70710] (1)
eribulin mesylate [CHEBI:70710] (1)
ChEBI Compound Accession Identifier :
[CHEBI:70710]
ChEBI Compound Description :
A methanesulfonate salt obtained by reaction of eribulin with one equivalent of methanesulfonic acid. A fully synthetic macrocyclic ketone analogue of marine sponge natural products. Inhibits growth phase of microtubules via tubulin-based antimitotic mechanism, which leads to G2/M cell-cycle block, disruption of mitotic spindles, and, ultimately, apoptotic cell death after prolonged mitotic blockage.
ChEBI Compound Identification Number :
70710
ChEBI InChI Value :
"InChI=1S/C40H59NO11.CH4O3S/c1-19-11-24-5-7-28-20(2)12-26(45-28)9-10-40-17-33-36(51-40)37-38(50-33)39(52-40)35-29(49-37)8-6-25(47-35)13-22(42)14-27-31(16-30(46-24)21(19)3)48-32(34(27)44-4)15-23(43)18-41;1-5(2,3)4/h19,23-39,43H,2-3,5-18,41H2,1,4H3;1H3,(H,2,3,4)/t19-,23+,24+,25-,26+,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39+,40+;/m1./s1"
ChEBI InChIKey Value :
QAMYWGZHLCQOOJ-WRNBYXCMSA-N
ChEBI Compound Name :
eribulin mesylate
ChEBI SMILES Value :
CS(O)(=O)=O.[H][C@@]12CC[C@]3([H])O[C@@]([H])(CC[C@@]45C[C@]6([H])O[C@]7([H])[C@@]([H])(O[C@@]8([H])CC[C@]([H])(CC(=O)C[C@]9([H])[C@@H](OC)[C@@H](C[C@H](O)CN)O[C@@]9([H])C[C@@]([H])(O1)C(=C)[C@H](C)C2)O[C@]8([H])[C@]7([H])O4)[C@H]6O5)CC3=C
ChEBI Substance ID :
160646022
ChEBI URL :
ChEBI:70710
ChemSpider ID :
26386066
Ontomatica Chemical Accession Key (OnChAKey) :
QAMYWGZHLCQOOJ_WRNBYXCMSA_N_000_000000
PubChem Compound ID :
17755248