MC-VC-PAB-Cyclohexanediamine-Thailanstatin A

• CAT Number: I040927
• CAS Number: 1609108-96-4
• Molecular Formula: C63H91N9O16
• Molecular Weight: 1230.45
• Purity: ≥95%
• 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
• 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: CC1CC(C(OC1CC=C(C)C=CC2C(C3(CC(O2)CC(=O)NC4CCC(CC4)NC(=O)OCC5=CC=C(C=C5)NC(=O)C(CCCNC(=O)N)NC(=O)C(C(C)C)NC(=O)CCCCCN6C(=O)C=CC6=O)CO3)O)C)NC(=O)C=CC(C)OC(=O)C

MC-VC-PAB-Cyclohexanediamine-Thailanstatin A is a Spliceostatin (HY-16466) analog, and a drug-linker conjugates for ADC, consisting of ADC Cytotoxin Thailanstatin A (HY-129589) and cleavable ADC linker (MC-vc-PAB). MC-VC-PAB-Cyclohexanediamine-Thailanstatin A can be used for ADC synthesis[1].

Reference

[1]. Dirico KJ, et al. Preparation of spliceostatin analog antibody conjugates for cancer treatment. World Intellectual Property Organization, WO2014068443 A1. 2014-05-08.