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FGFR1 inhibitor-15

CAT: 0804-HY-W261325Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W261325Size:1 Each
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Description
FGFR1 inhibitor-15 (Compound 23) is an FGFR1 inhibitor with an IC50 of 27 μM. FGFR1 inhibitor-15 can be used in the study of cancer[1].
CAS Number
459137-97-4
UNSPSC
12352005
Hazard Statement
H315-H319-H320
Target
FGFR
Related Pathways
Protein Tyrosine Kinase/RTK
Field of Research
Cancer
Smiles
O=C1C(C2=NC3=C(N2)C=CC=C3)=C(N(C1)C4=CC=C(C=C4)F)N
Molecular Formula
C17H13FN4O
Molecular Weight
308.31
Precautions
P264-P280-P302+P352-P305+P351+P338-P362
References & Citations
[1]Gryshchenko AA, et al. Design, synthesis and biological evaluation of 5-amino-4- (1H-benzoimidazol-2-yl) -phenyl-1,2-dihydro-pyrrol-3-ones as inhibitors of protein kinase FGFR1. Bioorg Med Chem. 2016 May 1;24 (9) :2053-9.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

5-amino-4-(1H-1,3-benzodiazol-2-yl)-1-(4-fluorophenyl)-2,3-dihydro-1H-pyrrol-3-one
CAS Number459137-97-4
PubChem CID135417125
IUPAC Name4-(1H-benzimidazol-2-yl)-1-(4-fluorophenyl)-5-imino-2H-pyrrol-3-ol
Molecular FormulaC17H13FN4O
Molecular Weight308.31
XLogP2.2
Topological Polar Surface Area76
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity515
SMILES
C1C(=C(C(=N)N1C2=CC=C(C=C2)F)C3=NC4=CC=CC=C4N3)O
InChI
InChI=1S/C17H13FN4O/c18-10-5-7-11(8-6-10)22-9-14(23)15(16(22)19)17-20-12-3-1-2-4-13(12)21-17/h1-8,19,23H,9H2,(H,20,21)
InChIKey
TXXFWZHRLGPWHX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-amino-4-(1H-1,3-benzodiazol-2-yl)-1-(4-fluorophenyl)-2,3-dihydro-1H-pyrrol-3-one
CAS: 459137-97-4
CID: 135417125
Formula: C17H13FN4O
MW: 308.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight308.31
XLogP32.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass308.10733921
Monoisotopic Mass308.10733921
Topological Polar Surface Area76 Ų
Heavy Atom Count23
Formal Charge0
Complexity515
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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