ERRα Ligand-Linker Conjugates 1 | CAS 2749977-49-7 | AnyMole

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HIT212667724

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HIT212667724

HIT ID:HIT212667724
Cas No:2749977-49-7
常用名:ERRα Ligand-Linker Conjugates 1
IUPAC:(2E)-N-(2-aminoethyl)-3-(4-{[2,4-bis(trifluoromethyl)phenyl]methoxy}-3-methoxyphenyl)-2-cyanoprop-2-enamide; trifluoroacetic acid
IUPAC:(2E)-N-(2-aminoethyl)-3-(4-{[2,4-bis(trifluoromethyl)phenyl]methoxy}-3-methoxyphenyl)-2-cyanoprop-2-enamide; trifluoroacetic acid
InChI key:CPWMCNMPRHLDGM-TWNLEINFSA-N

分子式:C24H20F9N3O5
分子量:601.426
氢键供体数 (HBD):2
氢键受体数 (HBA):5
LogP:2.8789866
SMILES:OC(=O)C(F)(F)F.COc1cc(\C=C(/C#N)C(=O)NCCN)ccc1OCc1ccc(cc1C(F)(F)F)C(F)(F)F
SMILES:OC(=O)C(F)(F)F.COc1cc(\C=C(/C#N)C(=O)NCCN)ccc1OCc1ccc(cc1C(F)(F)F)C(F)(F)F

ERRα Ligand-Linker Conjugates 1 refers to a chemical compound that consists of a ligand targeting estrogen-related receptor alpha (ERRα), and a PROTAC linker that facilitates the recruitment of E3 ligases MDM2. It finds utility in the synthesis of a range of PROTACs, including one known as PROTAC ERRalpha Degrader-1. With its capability to induce degradation of ERRα, PROTAC ERRalpha Degrader-1 functions as an ERRα degrader[1].

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