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 is a Drug-liker containing a PEG unit and a cleavable linker attached to Exatecan[1].

Reference

[1]. Xiao, S, et, al. Linkers, drug linkers and conjugates thereof and methods of using the same. WO2023280227A2.