Name: SNIPER(ER)-110
Rating: 5 (10 reviews)

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HIT ID:HIT212080431
Cas No:
常用名:SNIPER(ER)-110
IUPAC:(2S,4S)-1-[(2S)-2-cyclohexyl-2-[(2S)-2-(methylamino)propanamido]acetyl]-4-(3-{2-[2-(2-{[(2-{4-[(1Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)(methyl)carbamoyl]methoxy}ethoxy)ethoxy]ethoxy}phenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
IUPAC:(2S,4S)-1-[(2S)-2-cyclohexyl-2-[(2S)-2-(methylamino)propanamido]acetyl]-4-(3-{2-[2-(2-{[(2-{4-[(1Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)(methyl)carbamoyl]methoxy}ethoxy)ethoxy]ethoxy}phenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
InChI key:DXLPZZKVYXMXOP-UXACQRMVSA-N

分子式:C66H83N5O11
分子量:1122.414
氢键供体数 (HBD):4
氢键受体数 (HBA):12
LogP:8.296346
SMILES:CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C(=O)COCCOCCOCCOc2cccc(O[C@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C3CCCCC3)C(=O)N[C@@H]3CCCc4ccccc34)c2)cc1)c1ccccc1
SMILES:CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C(=O)COCCOCCOCCOc2cccc(O[C@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C3CCCCC3)C(=O)N[C@@H]3CCCc4ccccc34)c2)cc1)c1ccccc1

SNIPER(ER)-110 comprises a cIAP1 ligand and an estrogen ligand connected by a linker. SNIPER(ER)-51 induces estrogen receptor (ER) protein degradation with DC50s of <3 nM and 7.7 nM after 4 h and 48 h, respectively [1].

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