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PROTAC ERα Degrader-1 - CAS 2417369-94-7

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PROTAC ERα Degrader-1 comprises an ubiquitin E3 ligase binding group, a linker and a protein binding group. PROTAC ERα Degrader-1 extracts from patent WO2017201449A1, compound P1. PROTAC ERα Degrader-1 is an estrogen receptor-alpha (ERα) degrader.

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Molecular Formula

C66H69N7O10

Molecular Weight

1120.29

PROTAC ERα Degrader-1

- Specification
  - Solubility
    
    Soluble in DMSO (10 mM), Water (≥150 mg/mL)
    
    Storage
    
    Store at 2-8°C for short term (days to weeks) or -20°C for long term (months to years)
    
    Shipping
    
    Room temperature in continental US; may vary elsewhere
    
    IUPAC Name
    
    4-[(3S,4S)-7-cyano-1-[(2-methoxynaphthalen-1-yl)methyl]-4-methyl-3-[[(2S)-2-(methylamino)propanoyl]amino]-2-oxo-3,4-dihydro-1,5-benzodiazepine-5-carbonyl]-N-[2-[2-[2-[2-[4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl-methylamino]-2-oxoethoxy]ethoxy]ethyl]benzamide
    
    Synonyms
    
    Benzamide, 4-[[(2S,3S)-8-cyano-2,3,4,5-tetrahydro-5-[(2-methoxy-1-naphthalenyl)methyl]-2-methyl-3-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-4-oxo-1H-1,5-benzodiazepin-1-yl]carbonyl]-N-[2-[2-[2-[[2-[4-[1-(4-hydroxyphenyl)-2-phenyl-1-buten-1-yl]phenoxy]ethyl]methylamino]-2-oxoethoxy]ethoxy]ethyl]-; 4-((2S,3S)-8-cyano-5-((2-methoxynaphthalen-1-yl)methyl)-2-methyl-3-((S)-2-(methylamino)propanamido)-4-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine-1-carbonyl)-N-(2-(2-(2-((2-(4-(1-(4-hydroxyphenyl)-2-phenylbut-1-en-1-yl)phenoxy)ethyl)(methyl)amino)-2-oxoethoxy)ethoxy)ethyl)benzamide; 4-[[(2S,3S)-8-Cyano-2,3,4,5-tetrahydro-5-[(2-methoxy-1-naphthalenyl)methyl]-2-methyl-3-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-4-oxo-1H-1,5-benzodiazepin-1-yl]carbonyl]-N-[2-[2-[2-[[2-[4-[1-(4-hydroxyphenyl)-2-phenyl-1-buten-1-yl]phenoxy]ethyl]methylamino]-2-oxoethoxy]ethoxy]ethyl]benzamide
- Properties
  - Boiling Point
    
    1234.6±65.0°C at 760 Torr
    
    Density
    
    1.32±0.1 g/cm3
    
    InChI Key
    
    SNBOCOFSYPHJLP-KCRPDNSUSA-N
    
    InChI
    
    InChI=1S/C66H69N7O10/c1-7-54(46-13-9-8-10-14-46)61(48-22-27-52(74)28-23-48)49-24-29-53(30-25-49)83-36-34-71(5)60(75)42-82-38-37-81-35-33-69-64(77)50-18-20-51(21-19-50)65(78)73-44(3)62(70-63(76)43(2)68-4)66(79)72(57-31-17-45(40-67)39-58(57)73)41-56-55-16-12-11-15-47(55)26-32-59(56)80-6/h8-32,39,43-44,62,68,74H,7,33-38,41-42H2,1-6H3,(H,69,77)(H,70,76)/t43-,44-,62-/m0/s1
    
    Canonical SMILES
    
    N#CC1=CC=C2C(=C1)N(C(=O)C3=CC=C(C=C3)C(=O)NCCOCCOCC(=O)N(C)CCOC4=CC=C(C=C4)C(C5=CC=C(O)C=C5)=C(C=6C=CC=CC6)CC)C(C)C(NC(=O)C(NC)C)C(=O)N2CC7=C(OC)C=CC=8C=CC=CC87

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