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PROTAC ER Degrader-2

Inquiry

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).

* Please be kindly noted that our services and products can only be used for research to organizations or companies and not intended for any clinical or individuals.

Molecular Formula

C89H104N12O15

Molecular Weight

1581.85

PROTAC ER Degrader-2

- Specification
  - Solubility
    
    Soluble 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
    
    IUPAC Name
    
    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
    
    Synonyms
    
    PROTAC ER Degrader 2; tert-butyl ((S)-1-(((3S,4S)-5-(4-((2-(2-(2-((2-(4-((Z)-1-(4-((4-((S)-2-((S)-2-amino-3-methylbutanamido)-5-ureidopentanamido)benzyl)oxy)phenyl)-2-phenylbut-1-en-1-yl)phenoxy)ethyl)(methyl)amino)-2-oxoethoxy)ethoxy)ethyl)carbamoyl)benzoyl)-7-cyano-1-((2-methoxynaphthalen-1-yl)methyl)-4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl)amino)-1-oxopropan-2-yl)(methyl)carbamate; L-Valyl-N5-carbamoyl-N-{4-[(4-{(1Z)-1-[4-({13-[4-({(2S,3S)-8-cyano-5-[(2-methoxy-1-naphthyl)methyl]-2-methyl-3-[(N-methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alanyl)amino]-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl}carbonyl)phenyl]-3-methyl-4,13-dioxo-6,9-dioxa-3,12-diazatridec-1-yl}oxy)phenyl]-2-phenyl-1-buten-1-yl}phenoxy)methyl]phenyl}-L-ornithinamide
- Properties
  - Density
    
    1.3±0.1 g/cm3
    
    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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