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FM04

CAT: 0931-T72055-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T72055-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1807320-40-6
Target
P-gp
Related Pathways
Neuroscience, Membrane transporter/Ion channel
Purity
0.9987
Bioactivity
FM04 is an orally active and highly potent inhibitor of P-glycoprotein (P-gp) with an EC50 value of 83 nM. FM04 can interact with Q1193 and I1115 in human P-gp nucleotide binding domain 2 (NBD2) . Thereby disrupting the R262-Q1081-Q1118 interaction pocket and uncoupling the ICL2-NBD2 interaction, thereby inhibiting P-gp. FM04 can be used in the treatment of cancer and tumors.
Smiles
O=C1C=C(OC=2C1=CC=CC2)C3=CC=C(OCCOCCNCC4=CC=CC=C4)C=C3
Molecular Formula
C26H25NO4
Molecular Weight
415.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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