For research use only. Not for therapeutic Use.
MC-VC-PAB-Cyclohexanediamine-Thailanstatin A(CAT: I040927) is a drug-linker conjugate designed for antibody-drug conjugate (ADC) applications. It consists of the cytotoxic agent Thailanstatin A, a potent spliceosome inhibitor, linked via a cleavable ADC linker (MC-VC-PAB). Thailanstatin A is responsible for disrupting spliceosome function, leading to cell cycle arrest and apoptosis in cancer cells. The cleavable linker allows for the selective release of the cytotoxin upon internalization by the target cancer cells. This compound is highly relevant for Cancer Disease Research, particularly in the development of ADCs that selectively target and deliver potent cytotoxic agents to tumor cells, minimizing off-target effects.
| CAS Number | 1609108-96-4 |
| Synonyms | [(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-7-[2-[[4-[[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methoxycarbonylamino]cyclohexyl]amino]-2-oxoethyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate |
| Molecular Formula | C63H91N9O16 |
| Purity | ≥95% |
| IUPAC Name | [(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-7-[2-[[4-[[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methoxycarbonylamino]cyclohexyl]amino]-2-oxoethyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate |
| InChI | InChI=1S/C63H91N9O16/c1-37(2)57(71-52(74)13-9-8-10-31-72-55(77)28-29-56(72)78)60(81)70-48(12-11-30-65-61(64)82)59(80)67-45-19-17-43(18-20-45)35-84-62(83)68-46-23-21-44(22-24-46)66-54(76)33-47-34-63(36-85-63)58(79)51(88-47)26-15-38(3)14-25-50-39(4)32-49(41(6)87-50)69-53(75)27-16-40(5)86-42(7)73/h14-20,26-29,37,39-41,44,46-51,57-58,79H,8-13,21-25,30-36H2,1-7H3,(H,66,76)(H,67,80)(H,68,83)(H,69,75)(H,70,81)(H,71,74)(H3,64,65,82)/b26-15+,27-16-,38-14+/t39-,40-,41+,44?,46?,47+,48-,49+,50-,51+,57-,58+,63+/m0/s1 |
| InChIKey | CKPPCPQHYNWMCT-PEVYRQIWSA-N |
| SMILES | C[C@H]1C[C@H]([C@H](O[C@H]1C/C=C(\C)/C=C/[C@@H]2[C@H]([C@@]3(C[C@H](O2)CC(=O)NC4CCC(CC4)NC(=O)OCC5=CC=C(C=C5)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CCCCCN6C(=O)C=CC6=O)CO3)O)C)NC(=O)/C=C\[C@H](C)OC(=O)C |
