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BIHC

CAT: 0804-HY-152169-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-152169-04Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BIHC is a TNF blocker with anti-inflammatory activity. BIHC can significantly inhibit the proliferation of hepatocellular carcinoma (HCC) cells and exhibits potent cytotoxicity against the HepG2 cell line, capable of inducing cell apoptosis , while demonstrating relatively low toxicity towards normal hepatocytes. Additionally, BIHC can be used for research on inflammatory bowel disease (IBD) [1].
CAS Number
1642826-40-1
UNSPSC
12352005
Target
Apoptosis; Bcl-2 Family; IFNAR; Interleukin Related; NF-κB; TNF Receptor
Related Pathways
Apoptosis; Immunology/Inflammation; NF-κB
Applications
Cancer-Kinase/protease
Field of Research
Inflammation/Immunology
Purity
98.0
Smiles
O=C1OC2=C(C(O)=C1C(C3=C(O)C4=C(C=CC=C4)OC3=O)C5=C(Cl)N=C(CCCC)N5)C=CC=C2
Molecular Formula
C26H21ClN2O6
Molecular Weight
492.91
References & Citations
[1]Keerthy H K, Mohan C D, Siveen K S, et al. Novel synthetic biscoumarins target tumor necrosis factor-α in hepatocellular carcinoma in vitro and in vivo[J]. Journal of Biological Chemistry, 2014, 289 (46) : 31879-31890.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

3,3'-((2-Butyl-4-chloro-1H-imidazol-5-yl)methylene)bis(4-hydroxy-2H-chromen-2-one)
CAS Number1642826-40-1
PubChem CID124203903
IUPAC Name3-[(2-butyl-4-chloro-1H-imidazol-5-yl)-(4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one
Molecular FormulaC26H21ClN2O6
Molecular Weight492.9
XLogP4.9
Topological Polar Surface Area122
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity862
SMILES
CCCCC1=NC(=C(N1)C(C2=C(C3=CC=CC=C3OC2=O)O)C4=C(C5=CC=CC=C5OC4=O)O)Cl
InChI
InChI=1S/C26H21ClN2O6/c1-2-3-12-17-28-21(24(27)29-17)18(19-22(30)13-8-4-6-10-15(13)34-25(19)32)20-23(31)14-9-5-7-11-16(14)35-26(20)33/h4-11,18,30-31H,2-3,12H2,1H3,(H,28,29)
InChIKey
YDLKVAMYKVCOFK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,3'-((2-Butyl-4-chloro-1H-imidazol-5-yl)methylene)bis(4-hydroxy-2H-chromen-2-one)
CAS: 1642826-40-1
CID: 124203903
Formula: C26H21ClN2O6
MW: 492.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight492.9
XLogP34.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass492.1088141
Monoisotopic Mass492.1088141
Topological Polar Surface Area122 Ų
Heavy Atom Count35
Formal Charge0
Complexity862
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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CatalogName
T204826-01BIHC

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