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Flavagline FL3

CAT: 0804-HY-123554-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-123554-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Flavagline FL3 is a flavagline with potent and selective cytotoxicity in cancer cells.Flavagline FL3 induces apoptosis of HL60 and Hela cells by triggering the translocation of Apoptosis Inducing Factor (AIF) and caspase-12 to the nucleus[1].
CAS Number
1186012-80-5
UNSPSC
12352005
Target
Apoptosis
Type
Reference compound
Related Pathways
Apoptosis
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/flavagline-fl3.html
Purity
99.81
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O[C@@H]1C[C@H]([C@@]2(OC3=CC(OC)=CC(OC)=C3[C@@]21O)C4=CC=C(C=C4)Br)C5=CC=CC=C5
Molecular Formula
C25H23BrO5
Molecular Weight
483.35
References & Citations
[1]Frédéric Thuaud, et al. Synthetic analogue of rocaglaol displays a potent and selective cytotoxicity in cancer cells: involvement of apoptosis inducing factor and caspase-12. J Med Chem. 2009 Aug 27;52 (16) :5176-87.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

FL3 (flavagline)
CAS Number1186012-80-5
PubChem CID44233671
IUPAC Name(1R,3S,3aR,8bS)-3a-(4-bromophenyl)-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1,8b-diol
Molecular FormulaC25H23BrO5
Molecular Weight483.3
XLogP3.9
Topological Polar Surface Area68.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity633
SMILES
COC1=CC2=C(C(=C1)OC)[C@@]3([C@@H](C[C@H]([C@@]3(O2)C4=CC=C(C=C4)Br)C5=CC=CC=C5)O)O
InChI
InChI=1S/C25H23BrO5/c1-29-18-12-20(30-2)23-21(13-18)31-25(16-8-10-17(26)11-9-16)19(14-22(27)24(23,25)28)15-6-4-3-5-7-15/h3-13,19,22,27-28H,14H2,1-2H3/t19-,22+,24+,25-/m0/s1
InChIKey
ACIXIVSDWSWVDW-MCWSDJLFSA-N
Chemical Structure
2D Structure
2D structure of FL3 (flavagline)
CAS: 1186012-80-5
CID: 44233671
Formula: C25H23BrO5
MW: 483.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight483.3
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass482.07289
Monoisotopic Mass482.07289
Topological Polar Surface Area68.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity633
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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