Name: Rociletinib hydrobromide
Rating: 5 (10 reviews)

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HIT ID:HIT212708451
Cas No:1446700-26-0
常用名:Rociletinib hydrobromide
别名:CO-1686 (hydrobromide), CNX-419 hydrobromide, AVL-301 hydrobromide
别名:CO-1686 (hydrobromide), CNX-419 hydrobromide, AVL-301 hydrobromide
IUPAC:N-{3-[(2-{[4-(4-acetylpiperazin-1-yl)-2-methoxyphenyl]amino}-5-(trifluoromethyl)pyrimidin-4-yl)amino]phenyl}prop-2-enamide hydrobromide
IUPAC:N-{3-[(2-{[4-(4-acetylpiperazin-1-yl)-2-methoxyphenyl]amino}-5-(trifluoromethyl)pyrimidin-4-yl)amino]phenyl}prop-2-enamide hydrobromide
InChI key:IPKRDUJIGYXXNT-UHFFFAOYSA-N

分子式:C27H29BrF3N7O3
分子量:636.474
氢键供体数 (HBD):3
氢键受体数 (HBA):8
LogP:4.099069
SMILES:Br.COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O
SMILES:Br.COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O

Rociletinib hydrobromide is an orally delivered inhibitor of the mutant form of EGFR kinase (Kis: 21.5 nM and 303.3 nM for EGFR L858R/T790M and EGFR WT).

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