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BRG1-IN-1

CAT: 0931-T60870-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T60870-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2616813-99-9
Target
Others
Related Pathways
Others
Bioactivity
BRG1-IN-1 (Compound 11d) is a potent BRG1 inhibitor that surpasses PFI-3 in sensitizing GBM cells to the antiproliferative and cell death-inducing effects of Temozolomide in vitro, and enhances Temozolomide's inhibitory effect on subcutaneous GBM tumor growth[1].
Smiles
C(=C/C(=O)C1=CC=CC=C1)\N2C[C@@]3(N(C[C@]2(C3)[H])C4=CC=C(F)C=C4)[H]
Molecular Formula
C20H19FN2O
Molecular Weight
322.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Brg1-IN-1
CAS Number2616813-99-9
PubChem CID163408823
IUPAC Name(E)-3-[(1R,4R)-5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-phenylprop-2-en-1-one
Molecular FormulaC20H19FN2O
Molecular Weight322.4
XLogP3.9
Topological Polar Surface Area23.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity480
SMILES
C1[C@@H]2CN([C@H]1CN2C3=CC=C(C=C3)F)/C=C/C(=O)C4=CC=CC=C4
InChI
InChI=1S/C20H19FN2O/c21-16-6-8-17(9-7-16)23-14-18-12-19(23)13-22(18)11-10-20(24)15-4-2-1-3-5-15/h1-11,18-19H,12-14H2/b11-10+/t18-,19-/m1/s1
InChIKey
CSSHXOCDFOBNLZ-MMKWGKFASA-N
Chemical Structure
2D Structure
2D structure of Brg1-IN-1
CAS: 2616813-99-9
CID: 163408823
Formula: C20H19FN2O
MW: 322.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.4
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass322.14814140
Monoisotopic Mass322.14814140
Topological Polar Surface Area23.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity480
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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