For research use only, not for therapeutic use.
Mal-PEG2-VCP-Eribulin（Cat No.:I018595）, also known as Mal-PEG2-Val-Cit-PAB-Eribulin, is a complex molecule that serves as a linker for the synthesis of antibody-drug conjugates (ADCs). It consists of a maleimide (Mal) group, two units of polyethylene glycol (PEG2), a valine-citrulline peptide (VCP) linker, and the cytotoxic agent eribulin. This linker is designed to facilitate the conjugation of eribulin to antibodies, enabling targeted delivery of the cytotoxic drug to specific cells or tissues.
| Catalog Number | I018595 |
| CAS Number | 2130869-18-8 |
| Molecular Formula | C₇₀H₉₉N₇O₂₁ |
| 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. |
