PROTAC ERα Degrader-1

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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
Synonyms 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-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl-methylamino]-2-oxoethoxy]ethoxy]ethyl]benzamide
Solubility 10 mM in DMSO;H2O : ≥ 150 mg/mL
Storage -20°C, stored under nitrogen
*In solvent : -80°C, 6 months; -20°C, 1 month (stored under nitrogen)
Shipping Room temperature in continental US; may vary elsewhere
InChI Key SNBOCOFSYPHJLP-XJQCFLMPSA-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)/b61-54-/t43-,44-,62-/m0/s1
Canonical SMILES CCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCCN(C)C(=O)COCCOCCNC(=O)C3=CC=C(C=C3)C(=O)N4C(C(C(=O)N(C5=C4C=C(C=C5)C#N)CC6=C(C=CC7=CC=CC=C76)OC)NC(=O)C(C)NC)C)C8=CC=CC=C8

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Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2

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Tip: Chemical formula is case sensitive. C22H30N4O c22h30n40
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