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BG45

CAT: 0931-T2294-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T2294-03Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
926259-99-6
Target
Apoptosis, Caspase, HDAC
Related Pathways
Apoptosis, Chromatin/Epigenetic, Proteases/Proteasome, DNA Damage/DNA Repair
Purity
0.9991
Bioactivity
BG45 is an HDAC I type inhibitor with IC50 of 289 nM, 2.0 μM, 2.2 μM and >20 μM for HDAC3/1/2/6 in cell-free assays, respectively.
Smiles
Nc1ccccc1NC(=O)c1cnccn1
Molecular Formula
C11H10N4O
Molecular Weight
214.22
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

BG-45

N-(2-aminophenyl)-2-pyrazinecarboxamide is an aromatic amide.

CAS Number926259-99-6
PubChem CID16773791
IUPAC NameN-(2-aminophenyl)pyrazine-2-carboxamide
Molecular FormulaC11H10N4O
Molecular Weight214.22
XLogP0.3
Topological Polar Surface Area80.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity246
SMILES
C1=CC=C(C(=C1)N)NC(=O)C2=NC=CN=C2
InChI
InChI=1S/C11H10N4O/c12-8-3-1-2-4-9(8)15-11(16)10-7-13-5-6-14-10/h1-7H,12H2,(H,15,16)
InChIKey
LMWPVSNHKACEKW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of BG-45
CAS: 926259-99-6
CID: 16773791
Formula: C11H10N4O
MW: 214.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight214.22
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass214.08546096
Monoisotopic Mass214.08546096
Topological Polar Surface Area80.9 Ų
Heavy Atom Count16
Formal Charge0
Complexity246
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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