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DB1976 dihydrochloride

CAT: 0931-T10964L-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T10964L-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2369663-93-2
Target
NF-κB, Apoptosis
Related Pathways
NF-κB, Apoptosis
Purity
0.9908
Bioactivity
DB1976 dihydrochloride (DB1976 2HCl), a transcription factor PU.1 inhibitor with potential anti-inflammatory activity, slowed down inflammation and fibrosis and improved glucose homeostasis and dyslipidemia in mice in in vivo experiments.DB1976 dihydrochloride promotes apoptosis and may be used in studies of metabolic dysfunction and non-alcoholic steatohepatitis.
Smiles
N=C(C1=CC=C2N=C(C3=CC=C(C4=NC5=C(N4)C=C(C(N)=N)C=C5)[Se]3)NC2=C1)N.Cl.Cl
Molecular Formula
C20H18Cl2N8Se
Molecular Weight
520.28
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

DB1976 dihydrochloride
CAS Number2369663-93-2
PubChem CID146014497
IUPAC Name2-[5-(6-carbamimidoyl-1H-benzimidazol-2-yl)selenophen-2-yl]-3H-benzimidazole-5-carboximidamide;dihydrochloride
Molecular FormulaC20H18Cl2N8Se
Molecular Weight520.3
Topological Polar Surface Area157
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity604
SMILES
C1=CC2=C(C=C1C(=N)N)NC(=N2)C3=CC=C([Se]3)C4=NC5=C(N4)C=C(C=C5)C(=N)N.Cl.Cl
InChI
InChI=1S/C20H16N8Se.2ClH/c21-17(22)9-1-3-11-13(7-9)27-19(25-11)15-5-6-16(29-15)20-26-12-4-2-10(18(23)24)8-14(12)28-20;;/h1-8H,(H3,21,22)(H3,23,24)(H,25,27)(H,26,28);2*1H
InChIKey
ZXDJCXGSFWTRMS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DB1976 dihydrochloride
CAS: 2369663-93-2
CID: 146014497
Formula: C20H18Cl2N8Se
MW: 520.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight520.3
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass520.01967
Monoisotopic Mass520.01967
Topological Polar Surface Area157 Ų
Heavy Atom Count31
Formal Charge0
Complexity604
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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