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MedKoo CAT#: 406653
CAS#: 1637735-84-2
Description: FIIN-3 is a potent, selective, irreversible and the next-generation covalent FGFR inhibitor. FIIN-3 is the first inhibitor that can potently inhibit the proliferation of cells dependent upon the gatekeeper mutants of FGFR1 or FGFR2, which confer resistance to first-generation clinical FGFR inhibitors such as NVP-BGJ398 and AZD4547. FIIN-3 has the unprecedented ability to inhibit both the EGF receptor (EGFR) and FGFR covalently by targeting two distinct cysteine residues. FIIN-3 bound with FGFR4 V550L and EGFR L858R.
MedKoo Cat#: 406653
Name: FIIN-3
CAS#: 1637735-84-2
Chemical Formula: C34H36Cl2N8O4
Exact Mass: 690.22366
Molecular Weight: 691.60684
Elemental Analysis: C, 59.05; H, 5.25; Cl, 10.25; N, 16.20; O, 9.25
Synonym: FIIN3; FIIN 3; FIIN-3.
IUPAC/Chemical Name: N-(4-((3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-((4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)ureido)methyl)phenyl)acrylamide
InChi Key: SFLKJNSBBVSPFE-UHFFFAOYSA-N
InChi Code: InChI=1S/C34H36Cl2N8O4/c1-5-30(45)40-24-8-6-22(7-9-24)20-44(34(46)41-33-31(35)26(47-3)18-27(48-4)32(33)36)29-19-28(37-21-38-29)39-23-10-12-25(13-11-23)43-16-14-42(2)15-17-43/h5-13,18-19,21H,1,14-17,20H2,2-4H3,(H,40,45)(H,41,46)(H,37,38,39)
SMILES Code: O=C(NC1=CC=C(C=C1)CN(C(NC2=C(C(OC)=CC(OC)=C2Cl)Cl)=O)C3=CC(NC4=CC=C(C=C4)N5CCN(CC5)C)=NC=N3)C=C
1: Tan L, Wang J, Tanizaki J, Huang Z, Aref AR, Rusan M, Zhu SJ, Zhang Y, Ercan D, Liao RG, Capelletti M, Zhou W, Hur W, Kim N, Sim T, Gaudet S, Barbie DA, Yeh JR, Yun CH, Hammerman PS, Mohammadi M, Jänne PA, Gray NS. Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors. Proc Natl Acad Sci U S A. 2014 Nov 11;111(45):E4869-77. doi: 10.1073/pnas.1403438111. Epub 2014 Oct 27. PubMed PMID: 25349422; PubMed Central PMCID: PMC4234547.
2: Huang Z, Tan L, Wang H, Liu Y, Blais S, Deng J, Neubert TA, Gray NS, Li X, Mohammadi M. DFG-out mode of inhibition by an irreversible type-1 inhibitor capable of overcoming gate-keeper mutations in FGF receptors. ACS Chem Biol. 2015 Jan 16;10(1):299-309. doi: 10.1021/cb500674s. Epub 2014 Oct 27. PubMed PMID: 25317566; PubMed Central PMCID: PMC4301177.