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FIIN-2

CAT: 0804-HY-18602-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-18602-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
FIIN-2 is an irreversible inhibitor of FGFR with an IC50 of 3.1, 4.3, 27, and 45 nM for FGFR1, FGFR2, FGFR3 and FGFR4, respectively.
CAS Number
1633044-56-0
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
FGFR
Type
Reference compound
Related Pathways
Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/FIIN-2.html
Purity
99.32
Solubility
DMSO : ≥ 100 mg/mL
Smiles
C=CC(NC1=CC=C(CN(C2=NC(NC3=CC=C(N4CCN(C)CC4)C=C3)=NC=C2CN5C6=CC(OC)=CC(OC)=C6)C5=O)C=C1)=O
Molecular Formula
C35H38N8O4
Molecular Weight
634.73
Precautions
H302, H315, H319, H335
References & Citations
[1]Tan L, et al. 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) :E4869-4877.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-(4-((3-(3,5-Dimethoxyphenyl)-7-((4-(4-methylpiperazin-1-yl)phenyl)amino)-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl)methyl)phenyl)acrylamide
CAS Number1633044-56-0
PubChem CID91825767
IUPAC NameN-[4-[[3-(3,5-dimethoxyphenyl)-7-[4-(4-methylpiperazin-1-yl)anilino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]methyl]phenyl]prop-2-enamide
Molecular FormulaC35H38N8O4
Molecular Weight634.7
XLogP4
Topological Polar Surface Area115
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count47
Formal Charge0
Complexity1030
SMILES
CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4CN(C(=O)N(C4=N3)CC5=CC=C(C=C5)NC(=O)C=C)C6=CC(=CC(=C6)OC)OC
InChI
InChI=1S/C35H38N8O4/c1-5-32(44)37-26-8-6-24(7-9-26)22-43-33-25(23-42(35(43)45)29-18-30(46-3)20-31(19-29)47-4)21-36-34(39-33)38-27-10-12-28(13-11-27)41-16-14-40(2)15-17-41/h5-13,18-21H,1,14-17,22-23H2,2-4H3,(H,37,44)(H,36,38,39)
InChIKey
DVBPRWJMHURKHP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-((3-(3,5-Dimethoxyphenyl)-7-((4-(4-methylpiperazin-1-yl)phenyl)amino)-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl)methyl)phenyl)acrylamide
CAS: 1633044-56-0
CID: 91825767
Formula: C35H38N8O4
MW: 634.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight634.7
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass634.30160172
Monoisotopic Mass634.30160172
Topological Polar Surface Area115 Ų
Heavy Atom Count47
Formal Charge0
Complexity1030
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
T6836-01FIIN-2
450061-01FIIN 2
A12357-2FIIN-2 2mg
A12357-1FIIN-2 1mg
A12357-25FIIN-2 25mg
A12357-50FIIN-2 50mg
A12357-5FIIN-2 5mg
A12357-10FIIN-2 10mg
BA6366-50FIIN-3
M34253-01FIIN-4

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