PB089

• CAT Number: I040692
• CAS Number: 2892336-54-6
• Molecular Formula: C90H133FN12O32
• Molecular Weight: 1914.08
• Purity: ≥95%
• Synonyms: [4-[[(2S)-2-[[(2S)-2-[[(2S)-6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]hexanoyl]amino]-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]carbamate
• InChI: InChI=1S/C90H133FN12O32/c1-5-90(125)60-44-66-78-58(46-103(66)86(121)59(60)52-134-87(90)122)76-62(20-19-57-54(4)61(91)45-65(97-78)75(57)76)99-89(124)135-51-55-15-17-56(18-16-55)95-83(118)64(13-11-25-94-88(92)123)98-85(120)77(53(2)3)100-84(119)63(96-72(111)14-7-6-10-26-102-73(112)21-22-74(102)113)12-8-9-24-93-71(110)23-28-126-30-32-128-34-36-130-38-40-132-42-43-133-41-39-131-37-35-129-33-31-127-29-27-101(47-67(106)79(114)81(116)69(108)49-104)48-68(107)80(115)82(117)70(109)50-105/h15-18,21-22,44-45,53,62-64,67-70,77,79-82,104-109,114-117,125H,5-14,19-20,23-43,46-52H2,1-4H3,(H,93,110)(H,95,118)(H,96,111)(H,98,120)(H,99,124)(H,100,119)(H3,92,94,123)/t62-,63-,64-,67-,68-,69+,70+,77-,79+,80+,81+,82+,90-/m0/s1
• InChIKey: MDHOTIQWJWYSSB-LZQPNPEKSA-N
• SMILES: CCC1(C2=C(COC1=O)C(=O)N3CC4=C5C(CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)OCC7=CC=C(C=C7)NC(=O)C(CCCNC(=O)N)NC(=O)C(C(C)C)NC(=O)C(CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCN(CC(C(C(C(CO)O)O)O)O)CC(C(C(C(CO)O)O)O)O)NC(=O)CCCCCN8C(=O)C=CC8=O)O

PB089(CAT: I040692) is a drug-like conjugate compound designed for targeted cancer therapy. It incorporates Exatecan, a potent topoisomerase I inhibitor, linked via a cleavable linker and a polyethylene glycol (PEG) unit. The PEG moiety enhances solubility, prolongs circulation time, and reduces immunogenicity, while the cleavable linker enables controlled drug release in the tumor microenvironment, typically triggered by specific enzymes or acidic pH. PB089 represents a strategic approach in antibody-drug conjugates (ADCs) or polymer-drug conjugates, aiming to deliver Exatecan selectively to tumor cells while minimizing systemic toxicity. This makes it a valuable candidate in precision oncology research.