Name: PRN694
Rating: 5 (10 reviews)

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HIT ID:HIT212672898
Cas No:1575818-46-0
常用名:PRN694
IUPAC:5-(difluoromethyl)-N-[5-({[(2S)-3,3-dimethylbutan-2-yl]amino}methyl)-1-{[(2R)-1-(prop-2-enoyl)pyrrolidin-2-yl]methyl}-1H-1,3-benzodiazol-2-yl]thiophene-2-carboxamide
IUPAC:5-(difluoromethyl)-N-[5-({[(2S)-3,3-dimethylbutan-2-yl]amino}methyl)-1-{[(2R)-1-(prop-2-enoyl)pyrrolidin-2-yl]methyl}-1H-1,3-benzodiazol-2-yl]thiophene-2-carboxamide
InChI key:NXTKFBGDLDPFLB-PKOBYXMFSA-N

分子式:C28H35F2N5O2S
分子量:543.68
氢键供体数 (HBD):2
氢键受体数 (HBA):4
LogP:5.496931
SMILES:C[C@H](NCc1ccc2n(C[C@H]3CCCN3C(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1)C(C)(C)C
SMILES:C[C@H](NCc1ccc2n(C[C@H]3CCCN3C(=O)C=C)c(NC(=O)c3ccc(s3)C(F)F)nc2c1)C(C)(C)C

PRN694 shows extended target residence time on ITK and RLK, enabling durable attenuation of effector cells in vitro and in vivo. PRN694 is an irreversible, highly selective, and effective covalent interleukin-2-inducible T-cell kinase (ITK) and resting lymphocyte kinase (RLK) dual inhibitor (IC50s: 0.3 nM and 1.4 nM, respectively).

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