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FM04

CAT: 0804-HY-149277-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-149277-02Size:5 mg
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Description
FM04 is a potent P-glycoprotein (P-gp) inhibitor (EC50=83 nM) . FM04 inhibits P-gp in 2 mechanism: (1) FM04 binds to Q1193, followed by interacting with the functionally critical residues H1195 and T1226; or (2) FM04 binds to I1115 (a functionally critical residue itself), disrupting the R262-Q1081-Q1118 interaction pocket and uncoupling ICL2-NBD2 interaction and thereby inhibiting P-gp[1].
CAS Number
1807320-40-6
UNSPSC
12352005
Target
P-glycoprotein
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/fm04.html
Purity
99.86
Solubility
10 mM in DMSO
Smiles
O=C1C=C(C2=CC=C(OCCOCCNCC3=CC=CC=C3)C=C2)OC4=C1C=CC=C4
Molecular Formula
C26H25NO4
Molecular Weight
415.48
References & Citations
[1]Liu Z, et al. Identification of Binding Sites in the Nucleotide-Binding Domain of P-Glycoprotein for a Potent and Nontoxic Modulator, the Amine-Containing Monomeric Flavonoid FM04. J Med Chem. 2023 Apr 25.
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

2-[4-[2-[2-(Benzylamino)ethoxy]ethoxy]phenyl]chromen-4-one
CAS Number1807320-40-6
PubChem CID118323802
IUPAC Name2-[4-[2-[2-(benzylamino)ethoxy]ethoxy]phenyl]chromen-4-one
Molecular FormulaC26H25NO4
Molecular Weight415.5
XLogP4.4
Topological Polar Surface Area56.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count31
Formal Charge0
Complexity578
SMILES
C1=CC=C(C=C1)CNCCOCCOC2=CC=C(C=C2)C3=CC(=O)C4=CC=CC=C4O3
InChI
InChI=1S/C26H25NO4/c28-24-18-26(31-25-9-5-4-8-23(24)25)21-10-12-22(13-11-21)30-17-16-29-15-14-27-19-20-6-2-1-3-7-20/h1-13,18,27H,14-17,19H2
InChIKey
JIFJFNBTQSCGBM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[4-[2-[2-(Benzylamino)ethoxy]ethoxy]phenyl]chromen-4-one
CAS: 1807320-40-6
CID: 118323802
Formula: C26H25NO4
MW: 415.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.5
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass415.17835828
Monoisotopic Mass415.17835828
Topological Polar Surface Area56.8 Ų
Heavy Atom Count31
Formal Charge0
Complexity578
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

Alternative Products

CatalogName
MBS5814557FM04

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