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FGFR-IN-13

CAT: 0804-HY-163527Size: 1 EachDry Ice: NoHazardous: No
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Description
FGFR-IN-13 (compound III-30) is an irreversible covalent fibroblast growth factor receptor (FGFR) inhibitor. FGFR-IN-13 regulates endogenous FGFR1 (IC50=0.20±0.02 nM) and FGFR4 (IC50=0.40±0.03 nM) mediated signaling pathways by inhibiting the expression of key proteins. FGFR-IN-13 inhibits total-PARP and Bcl-2 protein expressions, and promote Cleaved-PARP and Bax protein expressions in a dose-dependent manner. FGFR-IN-13 has significant antitumor activity and oral activity[1].
CAS Number
2962941-25-7
UNSPSC
12352005
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/fgfr-in-13.html
Solubility
10 mM in DMSO
Smiles
C=CC(NC1=CC=C(CN2C=NC3=C(C4=CC(OC)=CC(OC)=C4)N=CN=C23)C=C1)=O
Molecular Formula
C23H21N5O3
Molecular Weight
415.44
References & Citations
[1]Wang Y, et al. Discovery of N- (4- ((6- (3, 5-Dimethoxyphenyl) -9H-Purine Derivatives as Irreversible Covalent FGFR Inhibitors[J]. European Journal of Medicinal Chemistry, 2024: 116415.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Fgfr-IN-13
CAS Number2962941-25-7
PubChem CID171714275
IUPAC NameN-[4-[[6-(3,5-dimethoxyphenyl)purin-9-yl]methyl]phenyl]prop-2-enamide
Molecular FormulaC23H21N5O3
Molecular Weight415.4
XLogP3
Topological Polar Surface Area91.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity600
SMILES
COC1=CC(=CC(=C1)C2=C3C(=NC=N2)N(C=N3)CC4=CC=C(C=C4)NC(=O)C=C)OC
InChI
InChI=1S/C23H21N5O3/c1-4-20(29)27-17-7-5-15(6-8-17)12-28-14-26-22-21(24-13-25-23(22)28)16-9-18(30-2)11-19(10-16)31-3/h4-11,13-14H,1,12H2,2-3H3,(H,27,29)
InChIKey
FDYYKFWGYGBXLY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fgfr-IN-13
CAS: 2962941-25-7
CID: 171714275
Formula: C23H21N5O3
MW: 415.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.4
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass415.16443955
Monoisotopic Mass415.16443955
Topological Polar Surface Area91.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity600
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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