Name: PROTAC RIPK degrader-2
Rating: 5 (10 reviews)

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HIT ID:HIT212666612
Cas No:1801547-16-9
常用名:PROTAC RIPK degrader-2
IUPAC:(2S,4R)-1-[(2S)-2-[14-({4-[(1,3-benzothiazol-5-yl)amino]-6-(2-methylpropane-2-sulfonyl)quinolin-7-yl}oxy)-3,6,9,12-tetraoxatetradecanamido]-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
IUPAC:(2S,4R)-1-[(2S)-2-[14-({4-[(1,3-benzothiazol-5-yl)amino]-6-(2-methylpropane-2-sulfonyl)quinolin-7-yl}oxy)-3,6,9,12-tetraoxatetradecanamido]-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
InChI key:RIEGJNXDHULIKM-GPPJZCFZSA-N

分子式:C52H65N7O11S3
分子量:1060.31
氢键供体数 (HBD):4
氢键受体数 (HBA):15
LogP:4.087025
SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOc2cc3nccc(Nc4ccc5scnc5c4)c3cc2S(=O)(=O)C(C)(C)C)C(C)(C)C)cc1
SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOc2cc3nccc(Nc4ccc5scnc5c4)c3cc2S(=O)(=O)C(C)(C)C)C(C)(C)C)cc1

PROTAC RIPK degrader-2 is a nonpeptidic PROTAC ,and potently targets serine-threonine kinase RIPK2 and has highly selective for RIPK2 degradation.

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