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BRD5459

CAT: 0013-GTR19195297-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195297-01Size:1 mg
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Description
BRD5459 is a research chemical that induces a non-lethal oxidative stress response. It is used in vitro and in vivo to study cellular redox biology, antioxidant pathways, and preconditioning mechanisms without causing cytotoxicity.
CAS Number
612037-58-8
Product Name Alternative
BRD 5459, BRD5459, BRD-5459
Field of Research
Signal Transduction
Purity
99.24% (May vary between batches)
Smiles
N#CC=1C2=NC=3C=CC=CC3N2C (NCCC4=CC=C (OC) C (OC) =C4) =C (C1C) CC=C
Molecular Formula
C26H26N4O2
Molecular Weight
426.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Allyl-1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CAS Number612037-58-8
PubChem CID1538675
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-2-prop-2-enylpyrido[1,2-a]benzimidazole-4-carbonitrile
Molecular FormulaC26H26N4O2
Molecular Weight426.5
XLogP6.6
Topological Polar Surface Area71.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity678
SMILES
CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC=C)NCCC4=CC(=C(C=C4)OC)OC)C#N
InChI
InChI=1S/C26H26N4O2/c1-5-8-19-17(2)20(16-27)26-29-21-9-6-7-10-22(21)30(26)25(19)28-14-13-18-11-12-23(31-3)24(15-18)32-4/h5-7,9-12,15,28H,1,8,13-14H2,2-4H3
InChIKey
NUAXAFFYXXNHLP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Allyl-1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CAS: 612037-58-8
CID: 1538675
Formula: C26H26N4O2
MW: 426.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.5
XLogP36.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass426.20557608
Monoisotopic Mass426.20557608
Topological Polar Surface Area71.6 Ų
Heavy Atom Count32
Formal Charge0
Complexity678
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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