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SY-5609 , CAS No.S614276, Inhibitor of cyclin dependent kinase 12;Inhibitor of cyclin dependent kinase 7;Inhibitor of cyclin dependent kinase 9
Basic Description Synonyms SY-5609|SY5609|2417302-07-7|TW6044C3O6|UNII-TW6044C3O6|SY-5609 [WHO-DD]|Sy 5609|1H-Indole-6-carbonitrile, 7-(dimethylphosphinyl)-3-(2-(((3S)-6,6-dimethyl-3-piperidinyl)amino)-5-(trifluoromethyl)-4-pyrimidinyl)-|7-dimethylphosphoryl-3-[2-[[(3S)-6,6-dimethy Specifications & Purity Moligand™ Grade Moligand™ Action Type INHIBITOR Mechanism of action Inhibitor of cyclin dependent kinase 12;Inhibitor of cyclin dependent kinase 7;Inhibitor of cyclin dependent kinase 9
Names and Identifiers IUPAC Name 7-dimethylphosphoryl-3-[2-[[(3S)-6,6-dimethylpiperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indole-6-carbonitrile INCHI InChI=1S/C23H26F3N6OP/c1-22(2)8-7-14(10-30-22)31-21-29-12-17(23(24,25)26)18(32-21)16-11-28-19-15(16)6-5-13(9-27)20(19)34(3,4)33/h5-6,11-12,14,28,30H,7-8,10H2,1-4H3,(H,29,31,32)/t14-/m0/s1 InChi Key JDJOUBVVSQDIRC-AWEZNQCLSA-N Canonical SMILES CC1(C)CC[C@H](Nc2ncc(c(c3c[nH]c4c3ccc(C#N)c4P(=O)(C)C)n2)C(F)(F)F)CN1 Isomeric SMILES CC1(CC[C@@H](CN1)NC2=NC=C(C(=N2)C3=CNC4=C3C=CC(=C4P(=O)(C)C)C#N)C(F)(F)F)C PubChem CID 146662729
References 1. Marineau JJ, Hamman KB, Hu S, Alnemy S, Mihalich J, Kabro A, Whitmore KM, Winter DK, Roy S, Ciblat S et al. . (2021) Discovery of SY-5609: A Selective, Noncovalent Inhibitor of CDK7.. J Med Chem, 129 (3): (589-97). [PMID:34726887 ]
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