Catalog Number | I018595 |
CAS Number | 2130869-18-8 |
Molecular Formula | C₇₀H₉₉N₇O₂₁
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Purity | 95% |
IUPAC Name | [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[(2S)-2-hydroxy-3-[(1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-21-methoxy-14-methyl-8,15-dimethylidene-24-oxo-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.13,32.13,33.16,9.112,16.018,22.029,36.031,35]hentetracontan-20-yl]propyl]carbamate |
InChI | InChI=1S/C70H99N7O21/c1-37(2)59(76-56(80)20-24-88-26-27-89-25-23-77-57(81)17-18-58(77)82)67(84)75-49(8-7-22-72-68(71)85)66(83)74-42-11-9-41(10-12-42)36-90-69(86)73-35-44(79)32-54-60(87-6)48-31-43(78)30-46-14-16-51-61(93-46)65-64-63(95-51)62-55(96-64)34-70(97-62,98-65)21-19-47-29-39(4)50(91-47)15-13-45-28-38(3)40(5)52(92-45)33-53(48)94-54/h9-12,17-18,37-38,44-55,59-65,79H,4-5,7-8,13-16,19-36H2,1-3,6H3,(H,73,86)(H,74,83)(H,75,84)(H,76,80)(H3,71,72,85)/t38-,44+,45+,46-,47+,48+,49+,50+,51+,52-,53+,54-,55-,59+,60-,61+,62+,63+,64-,65+,70+/m1/s1 |
InChIKey | ODAGJGZILCZEBN-LHGNNKGASA-N |
SMILES | CC1CC2CCC3C(=C)CC(O3)CCC45CC6C(O4)C7C(O6)C(O5)C8C(O7)CCC(O8)CC(=O)CC9C(CC(C1=C)O2)OC(C9OC)CC(CNC(=O)OCC1=CC=C(C=C1)NC(=O)C(CCCNC(=O)N)NC(=O)C(C(C)C)NC(=O)CCOCCOCCN1C(=O)C=CC1=O)O |
Reference | [1]. Earl F Albone, et al. Eribulin-based antibody-drug conjugates and methods of use. US20170252458A1.<br>[2]. Towle MJ, et al. Eribulin induces irreversible mitotic blockade: implications of cell-based pharmacodynamics for in vivo efficacy under intermittent dosing conditions. Cancer Res. 2011 Jan 15;71(2):496-505.
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