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FIIN-3

CAT: 0013-GTR19160466-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160466-02Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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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.
CAS Number
1637735-84-2
Product Name Alternative
FIIN3 | FIIN 3 | FIIN-3
Purity
>98% (HPLC)
Solubility
DMSO : 10 mg/mL 14.46 mM
Smiles
C (=O) (C=C) Nc1ccc (cc1) CN (c1ncnc (c1) Nc1ccc (cc1) N1CCN (CC1) C) C (=O) Nc1c (c (cc (c1Cl) OC) OC) Cl
Molecular Formula
C34H36Cl2N8O4
Molecular Weight
691.61
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
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

Chemical Information

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

N-[4-[[[(2,6-dichloro-3,5-dimethoxyanilino)-oxomethyl]-[6-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]amino]methyl]phenyl]-2-propenamide is a member of piperazines.

CAS Number1637735-84-2
PubChem CID73707531
IUPAC NameN-[4-[[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]methyl]phenyl]prop-2-enamide
Molecular FormulaC34H36Cl2N8O4
Molecular Weight691.6
XLogP5.6
Topological Polar Surface Area124
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count48
Formal Charge0
Complexity1020
SMILES
CN1CCN(CC1)C2=CC=C(C=C2)NC3=CC(=NC=N3)N(CC4=CC=C(C=C4)NC(=O)C=C)C(=O)NC5=C(C(=CC(=C5Cl)OC)OC)Cl
InChI
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)
InChIKey
SFLKJNSBBVSPFE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 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
CAS: 1637735-84-2
CID: 73707531
Formula: C34H36Cl2N8O4
MW: 691.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight691.6
XLogP35.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass690.2236570
Monoisotopic Mass690.2236570
Topological Polar Surface Area124 Ų
Heavy Atom Count48
Formal Charge0
Complexity1020
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
BA6366-50FIIN-3
450062FIIN-​3
A15848-200FIIN-3 200mg
A15848-10FIIN-3 10mg
A15848-1FIIN-3 1mg
A15848-50FIIN-3 50mg
A15848-5FIIN-3 5mg
A15848-100FIIN-3 100mg
A15848-25FIIN-3 25mg
A15848-2FIIN-3 2mg

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