PROTAC ER Degrader-2

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PROTAC ER Degrader-2 is an intermediate for synthesis of PAC. PAC, consists the ADCs linker and PROTACs, conjugated to an antibody. PAC extracts from patent WO2017201449A1, compound LP2. PAC conjugated to an antibody is a more marked estrogen receptor-alpha (ERα) degrader compared to PROTAC (without Ab).

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Molecular Formula C89H104N12O15
Molecular Weight 1581.85
Synonyms PROTAC ER Degrader 2; tert-butyl N-[(2S)-1-[[(3S,4S)-5-[4-[2-[2-[2-[2-[4-[(Z)-1-[4-[[4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl-methylamino]-2-oxoethoxy]ethoxy]ethylcarbamoyl]benzoyl]-7-cyano-1-[(2-methoxynaphthalen-1-yl)methyl]-4-methyl-2-oxo-3,4-dihydro-1,5-benzodiazepin-3-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate
Solubility 10 mM in DMSO
Storage Please store the product under the recommended conditions in the Certificate of Analysis.
Shipping Room temperature in continental US; may vary elsewhere
InChI Key DNJOADSQANNYAY-SCCWQXRBSA-N
InChI InChI=1S/C89H104N12O15/c1-12-70(61-19-14-13-15-20-61)78(64-33-40-69(41-34-64)115-54-59-24-36-67(37-25-59)95-83(105)73(23-18-44-94-87(92)109)96-84(106)79(91)56(2)3)63-31-38-68(39-32-63)114-48-46-98(9)77(102)55-113-50-49-112-47-45-93-82(104)65-27-29-66(30-28-65)85(107)101-57(4)80(97-81(103)58(5)99(10)88(110)116-89(6,7)8)86(108)100(74-42-26-60(52-90)51-75(74)101)53-72-71-22-17-16-21-62(71)35-43-76(72)111-11/h13-17,19-22,24-43,51,56-58,73,79-80H,12,18,23,44-50,53-55,91H2,1-11H3,(H,93,104)(H,95,105)(H,96,106)(H,97,103)(H3,92,94,109)/b78-70+/t57-,58-,73-,79-,80-/m0/s1
Canonical SMILES CCC(=C(C1=CC=C(C=C1)OCCN(C)C(=O)COCCOCCNC(=O)C2=CC=C(C=C2)C(=O)N3C(C(C(=O)N(C4=C3C=C(C=C4)C#N)CC5=C(C=CC6=CC=CC=C65)OC)NC(=O)C(C)N(C)C(=O)OC(C)(C)C)C)C7=CC=C(C=C7)OCC8=CC=C(C=C8)NC(=O)C(CCCNC(=O)N)NC(=O)C(C(C)C)N)C9=CC=CC=C9

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Tip: Chemical formula is case sensitive. C22H30N4O c22h30n40
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