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BG47

CAT: 0013-GTR19198100-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198100-01Size:25 mg
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Description
BG47 is a photochromic small molecule probe for the chemo-optical modulation of epigenetics (COMET) . It allows precise, light-controlled inhibition of human histone deacetylases (HDACs) using visible light, enabling spatiotemporal studies of epigenetic regulation in both cellular and animal models.
CAS Number
1628784-54-2
Field of Research
Epigenetics & Chromatin, Molecular Biology
Smiles
CN (C) c1ccc (cc1) N=Nc1ccc (cc1) C (=O) Nc1cc (ccc1O) -c1cccs1 |w:10.11|
Molecular Formula
C25H22N4O2S
Molecular Weight
442.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

cis-BG47
CAS Number1628784-54-2
PubChem CID136391459
IUPAC Name4-[[4-(dimethylamino)phenyl]diazenyl]-N-(2-hydroxy-5-thiophen-2-ylphenyl)benzamide
Molecular FormulaC25H22N4O2S
Molecular Weight442.5
XLogP5.6
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity629
SMILES
CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C4=CC=CS4)O
InChI
InChI=1S/C25H22N4O2S/c1-29(2)21-12-10-20(11-13-21)28-27-19-8-5-17(6-9-19)25(31)26-22-16-18(7-14-23(22)30)24-4-3-15-32-24/h3-16,30H,1-2H3,(H,26,31)
InChIKey
PNYUFPRPRATUNE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of cis-BG47
CAS: 1628784-54-2
CID: 136391459
Formula: C25H22N4O2S
MW: 442.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight442.5
XLogP35.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass442.14634713
Monoisotopic Mass442.14634713
Topological Polar Surface Area106 Ų
Heavy Atom Count32
Formal Charge0
Complexity629
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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