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FGFR1 inhibitor-2

CAT: 0931-T39992Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T39992Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2410612-08-5
Target
Others, FGFR
Related Pathways
Tyrosine Kinase/Adaptors, Others, Angiogenesis
Bioactivity
FGFR1 inhibitor-2 (with an IC50 of 4.55 μM in MDA-MB-231 cells) is a potent inhibitor of FGFR1. It is specifically useful for studying metastatic triple-negative breast cancer.
Smiles
Fc1ccc(cc1)C(CCCCNC(=O)Nc1ccc(c(c1)C(F)(F)F)N(=O)=O)c1ccc(F)cc1
Molecular Formula
C25H22F5N3O3
Molecular Weight
507.461
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

FGFR1 inhibitor-2
CAS Number2410612-08-5
PubChem CID162642764
IUPAC Name1-[5,5-bis(4-fluorophenyl)pentyl]-3-[4-nitro-3-(trifluoromethyl)phenyl]urea
Molecular FormulaC25H22F5N3O3
Molecular Weight507.5
XLogP7
Topological Polar Surface Area87
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity682
SMILES
C1=CC(=CC=C1C(CCCCNC(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)C3=CC=C(C=C3)F)F
InChI
InChI=1S/C25H22F5N3O3/c26-18-8-4-16(5-9-18)21(17-6-10-19(27)11-7-17)3-1-2-14-31-24(34)32-20-12-13-23(33(35)36)22(15-20)25(28,29)30/h4-13,15,21H,1-3,14H2,(H2,31,32,34)
InChIKey
PYHZCSUPIZNJGX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of FGFR1 inhibitor-2
CAS: 2410612-08-5
CID: 162642764
Formula: C25H22F5N3O3
MW: 507.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight507.5
XLogP37
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass507.15813238
Monoisotopic Mass507.15813238
Topological Polar Surface Area87 Ų
Heavy Atom Count36
Formal Charge0
Complexity682
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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