2755075-91-1
Chemical Structure
(S)-JNJ-1013
- CAS No.: 2755075-91-1
- Formula:C46H55N9O7S
- Molecular Weight:878.05
IUPAC Name: N-(4-(4-(2-(((S)-1-((2S,4S)-4-hydroxy-2-(((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)amino)-2-oxoethoxy)piperidin-1-yl)-2-methoxyphenyl)-6-(1H-pyrazol-3-yl)picolinamide
InChIKey: MHRNVFQJUUXQIG-LZJKKMSRSA-N
SMILES: COC(C=C1N(CC2)CCC2OCC(N[C@@H](C(C)(C)C)C(N3[C@@H](C[C@@H](C3)O)C(N[C@H](C4=CC=C(C5=C(C)N=CS5)C=C4)C)=O)=O)=O)=C(C=C1)NC(C6=CC=CC(C7=NNC=C7)=N6)=O
Biological Activity: (S)-JNJ-1013 is an isomer of IRAK1 PROTAC degrader JNJ-1013 (HY-153188). (S)-JNJ-1013 loses VHL binding affinity (IC50 >10 μM) and shows no significant IRAK1 degradation activity (DC50 > 10 μM). (S)-JNJ-1013 selectively inhibits IRAK1 with an IC50 of 79 nM. (S)-JNJ-1013 can be used to study cancers dependent on the scaffolding function of IRAK1[1].
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(S)-JNJ-1013 | (S)-JNJ-1013 is an isomer of IRAK1 PROTAC degrader JNJ-1013 (HY-153188). (S)-JNJ-1013 loses VHL binding affinity (IC50 >10 μM) and shows no significant IRAK1 degradation activity (DC50 > 10 μM). (S)-JNJ-1013 selectively inhibits IRAK1 with an IC50 of 79 nM. (S)-JNJ-1013 can be used to study cancers dependent on the scaffolding function of IRAK1. | |||||||||||||||||||||
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Keywords
