Name: RIP2 Kinase Inhibitor 4
Rating: 5 (10 reviews)

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HIT ID:HIT214322356
Cas No:2126803-41-4
常用名:RIP2 Kinase Inhibitor 4
IUPAC:N-[(3S,5S)-5-[(2,6-difluorophenyl)carbamoyl]-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]pyrrolidin-3-yl]-5-{4-[3-({4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]-6-(2-methylpropane-2-sulfonyl)quinazolin-7-yl}oxy)propyl]piperazin-1-yl}pyrazine-2-carboxamide
IUPAC:N-[(3S,5S)-5-[(2,6-difluorophenyl)carbamoyl]-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]pyrrolidin-3-yl]-5-{4-[3-({4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]-6-(2-methylpropane-2-sulfonyl)quinazolin-7-yl}oxy)propyl]piperazin-1-yl}pyrazine-2-carboxamide
InChI key:CHNBEZLJAQUZEX-LFRONEFISA-N

分子式:C50H66F2N14O7S
分子量:1045.23
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)Nc1c(F)cccc1F)NC(=O)c1cnc(cn1)N1CCN(CCCOc2cc3ncnc(Nc4n[nH]c(C)c4C)c3cc2S(=O)(=O)C(C)(C)C)CC1)C(C)(C)C |@@:70|
SMILES:CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)Nc1c(F)cccc1F)NC(=O)c1cnc(cn1)N1CCN(CCCOc2cc3ncnc(Nc4n[nH]c(C)c4C)c3cc2S(=O)(=O)C(C)(C)C)CC1)C(C)(C)C |@@:70|

RIP2 Kinase Inhibitor 4 is a highly potent and selective RIPK2 PROTAC compound that efficiently degrades RIPK2 (with a pIC50 value of 8) and effectively inhibits the release of TNF-α.

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