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Chemical structure of Bragsin1

GC65306

Bragsin1

Also known as 6-methyl-5-nitro-2-(trifluoromethyl)chromen-4-one

Bragsin1 is a potent, selective and noncompetitive inhibitor of the ArfGEF BRAG2, inhibits Arf GTPase activation, with an IC50 of 3 μM· Bragsin1 binds to PH domain of BRAG2, and is a noncompetitive interfacial inhibitor· Bragsin1 has no effect on the Sec7 domain of human ArfGEFs· Anti-cancer activity

ChemicalCAS369631-68-5MW273.16FormulaC11H6F3NO4
CAS number
369631-68-5
Molecular weight
273.16
Formula
C11H6F3NO4
Solubility
DMSO ： 62·5 mg/mL (228·80 mM; Need ultrasonic)
InChIKey
WEUSXIBCGCFOQR-UHFFFAOYSA-N
Catalogue number
GC65306
Brand
GLPBIO
Computed properties PubChem CID 740511 · XLogP 2.6 · TPSA 72.1 Ų · H-bond donors 0
XLogP
2.6
TPSA
72.1 Ų
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
0
Heavy atoms
19

SMILES CC1=C(C2=C(C=C1)OC(=CC2=O)C(F)(F)F)[N+](=O)[O-]

Computed descriptors from PubChem (CID 740511), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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