Name: PROTAC ER Degrader-3
Rating: 5 (10 reviews)

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类似物检索

HIT ID:HIT214314829
Cas No:2158322-29-1
常用名:PROTAC ER Degrader-3
IUPAC:tert-butyl N-[(1S)-1-{[(3S,4S)-7-cyano-5-(4-{[2-(2-{[(2-{4-[1-(4-hydroxyphenyl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)(methyl)carbamoyl]methoxy}ethoxy)ethyl]carbamoyl}benzoyl)-1-[(2-methoxynaphthalen-1-yl)methyl]-4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl]carbamoyl}ethyl]-N-methylcarbamate
IUPAC:tert-butyl N-[(1S)-1-{[(3S,4S)-7-cyano-5-(4-{[2-(2-{[(2-{4-[1-(4-hydroxyphenyl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)(methyl)carbamoyl]methoxy}ethoxy)ethyl]carbamoyl}benzoyl)-1-[(2-methoxynaphthalen-1-yl)methyl]-4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl]carbamoyl}ethyl]-N-methylcarbamate
InChI key:ZBSUUCSLUPVKFV-GIWUSTBMSA-N

分子式:C71H77N7O12
分子量:1220.434
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCC(=C(c1ccc(O)cc1)c1ccc(OCCN(C)C(=O)COCCOCCNC(=O)c2ccc(cc2)C(=O)N2[C@@H](C)[C@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(=O)N(Cc3c(OC)ccc4ccccc34)c3ccc(cc23)C#N)cc1)c1ccccc1 |w:3.11|
SMILES:CCC(=C(c1ccc(O)cc1)c1ccc(OCCN(C)C(=O)COCCOCCNC(=O)c2ccc(cc2)C(=O)N2[C@@H](C)[C@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(=O)N(Cc3c(OC)ccc4ccccc34)c3ccc(cc23)C#N)cc1)c1ccccc1 |w:3.11|

PROTAC ER Degrader-3, an intermediate for the synthesis of PAC, specifically compound LP2. PAC serves as the linker for ADCs and PROTACs that are conjugated to an antibody. Notably, when PAC is conjugated to an antibody, it exhibits enhanced degradation of estrogen receptor-alpha (ERα) compared to PROTAC alone [1].

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