PROTAC ER Degrader-3 - CAS 2158322-29-1

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PROTAC ER Degrader-3 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 C71H77N7O12
Molecular Weight 1220.41

PROTAC ER Degrader-3

Synonyms PROTAC ER Degrader 3; tert-butyl N-[(2S)-1-[[(3S,4S)-7-cyano-5-[4-[2-[2-[2-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl-methylamino]-2-oxoethoxy]ethoxy]ethylcarbamoyl]benzoyl]-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 ZBSUUCSLUPVKFV-OFHFNDNJSA-N
InChI InChI=1S/C71H77N7O12/c1-10-57(49-16-12-11-13-17-49)64(51-25-30-55(79)31-26-51)52-27-32-56(33-28-52)89-39-37-75(7)63(80)45-88-41-40-87-38-36-73-67(82)53-21-23-54(24-22-53)68(83)78-46(2)65(74-66(81)47(3)76(8)70(85)90-71(4,5)6)69(84)77(60-34-20-48(43-72)42-61(60)78)44-59-58-19-15-14-18-50(58)29-35-62(59)86-9/h11-35,42,46-47,65,79H,10,36-41,44-45H2,1-9H3,(H,73,82)(H,74,81)/b64-57-/t46-,47-,65-/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)N(C)C(=O)OC(C)(C)C)C)C8=CC=CC=C8

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Tip: Chemical formula is case sensitive. C22H30N4O c22h30n40
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