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Bragsin2

CAT: 0931-T14775-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T14775-02Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
342795-08-8
Target
MDM-2/p53, Ras, Others
Related Pathways
Apoptosis, MAPK, Others
Purity
0.9987
Bioactivity
Bragsin2 (6-methoxy-5-nitro-2- (trifluoromethyl) chromen-4-one) is a hydration-resistant cell penetrant, selective and non-competitive inhibitor of Afr guanine nucleotide exchange factor BRAG2 that inhibits Arf GTPase activation, with an IC50 of 3 μM. Bragsin2 binds at the interface between the pleckstrin homology domain of BRAG2 and the lipid bilayer, leading BRAG2 unable to activate lipidated Arf GTPase.
Smiles
COc1ccc2oc(cc(=O)c2c1[N+]([O-])=O)C(F)(F)F
Molecular Formula
C11H6F3NO5
Molecular Weight
289.16
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bragsin2
CAS Number342795-08-8
PubChem CID799794
IUPAC Name6-methoxy-5-nitro-2-(trifluoromethyl)chromen-4-one
Molecular FormulaC11H6F3NO5
Molecular Weight289.16
XLogP2.2
Topological Polar Surface Area81.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity456
SMILES
COC1=C(C2=C(C=C1)OC(=CC2=O)C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C11H6F3NO5/c1-19-7-3-2-6-9(10(7)15(17)18)5(16)4-8(20-6)11(12,13)14/h2-4H,1H3
InChIKey
WJUILHMXVGFAIS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bragsin2
CAS: 342795-08-8
CID: 799794
Formula: C11H6F3NO5
MW: 289.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight289.16
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count1
Exact Mass289.01980678
Monoisotopic Mass289.01980678
Topological Polar Surface Area81.4 Ų
Heavy Atom Count20
Formal Charge0
Complexity456
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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A19411-10Bragsin2 10mg
A19411-1Bragsin2 1mg
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A19411-5Bragsin2 5mg
A19411-10mM-DBragsin2 10mM * 1mL in DMSO

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