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C-Fms-IN-12

CAT: 0804-HY-147864Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-147864Size:1 Each
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Description
C-Fms-IN-12 (Compound 4g) is an FMS kinase inhibitor. c-Fms-IN-12 can also inhibits c-KIT. c-Fms-IN-12 is a potential broad-spectrum anticancer agent against multiple cancer types. c-Fms-IN-12 induces A549 cell apoptosis[1].
CAS Number
2145102-33-4
UNSPSC
12352005
Target
Apoptosis; c-Fms; c-Kit
Type
Reference compound
Related Pathways
Apoptosis; Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/c-fms-in-12-1.html
Solubility
10 mM in DMSO
Smiles
O=C(NC1=CN=C(NC2=CC=C(N3CCOCC3)C=C2)N=C1OC4=CC=CC(OC)=C4)NC5=CC(OC)=CC(OC)=C5
Molecular Formula
C30H32N6O6
Molecular Weight
572.61
References & Citations
[1]Farag AK, et al. Diarylurea derivatives comprising 2,4-diarylpyrimidines: Discovery of novel potential anticancer agents via combined failed-ligands repurposing and molecular hybridization approaches. Bioorg Chem. 2020 Oct;103:104121.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

1-(3,5-Dimethoxyphenyl)-3-[4-(3-methoxyphenoxy)-2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]urea
CAS Number2145102-33-4
PubChem CID142749657
IUPAC Name1-(3,5-dimethoxyphenyl)-3-[4-(3-methoxyphenoxy)-2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]urea
Molecular FormulaC30H32N6O6
Molecular Weight572.6
XLogP4.2
Topological Polar Surface Area128
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Heavy Atom Count42
Formal Charge0
Complexity801
SMILES
COC1=CC(=CC=C1)OC2=NC(=NC=C2NC(=O)NC3=CC(=CC(=C3)OC)OC)NC4=CC=C(C=C4)N5CCOCC5
InChI
InChI=1S/C30H32N6O6/c1-38-23-5-4-6-24(17-23)42-28-27(34-30(37)33-21-15-25(39-2)18-26(16-21)40-3)19-31-29(35-28)32-20-7-9-22(10-8-20)36-11-13-41-14-12-36/h4-10,15-19H,11-14H2,1-3H3,(H,31,32,35)(H2,33,34,37)
InChIKey
SBLCNWNDMUJOKH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3,5-Dimethoxyphenyl)-3-[4-(3-methoxyphenoxy)-2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]urea
CAS: 2145102-33-4
CID: 142749657
Formula: C30H32N6O6
MW: 572.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight572.6
XLogP34.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Exact Mass572.23833276
Monoisotopic Mass572.23833276
Topological Polar Surface Area128 Ų
Heavy Atom Count42
Formal Charge0
Complexity801
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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