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(-) BI97D6

CAT: 0931-T89441-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T89441-02Size:50 mg
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CAS Number
1430067-36-9
Bioactivity
(-) BI97D6 is a broad-spectrum inhibitor of the Bcl-2 protein family, exhibiting inhibitory effects on Mcl-1, Bcl-2, Bcl-xL, and Bcl-w, with IC50 values of 0.025, 0.031, 0.076, and 0.122 μM respectively. This compound stimulates cell death through the mitochondrial apoptosis pathway mediated by Bak and Bax. Additionally, (-) BI97D6s inhibition of Mcl-1 effectively induces apoptosis in acute myeloid leukemia (AML) cells.
Smiles
O=C1C2=CC(O)=C(O)C(=C2C(=O)C(=C1C=3C(=O)C4=CC(O)=C(O)C(=C4C(=O)C3C)CC=5C=CC=CC5)C)CC=6C=CC=CC6
Molecular Formula
C36H26O8
Molecular Weight
586.59
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5,5'-Dibenzyl-6,6',7,7'-tetrahydroxy-3,3'-dimethyl-[2,2'-binaphthalene]-1,1',4,4'-tetraone
CAS Number1430067-36-9
PubChem CID136183446
IUPAC Name5-benzyl-2-(5-benzyl-1,4,6,7-tetrahydroxy-3-methylnaphthalen-2-yl)-3-methylnaphthalene-1,4,6,7-tetrone
Molecular FormulaC36H26O8
Molecular Weight586.6
XLogP5.4
Topological Polar Surface Area149
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count44
Formal Charge0
Complexity1310
SMILES
CC1=C(C(=O)C2=CC(=O)C(=O)C(=C2C1=O)CC3=CC=CC=C3)C4=C(C5=CC(=C(C(=C5C(=C4C)O)CC6=CC=CC=C6)O)O)O
InChI
InChI=1S/C36H26O8/c1-17-27(35(43)23-15-25(37)33(41)21(29(23)31(17)39)13-19-9-5-3-6-10-19)28-18(2)32(40)30-22(14-20-11-7-4-8-12-20)34(42)26(38)16-24(30)36(28)44/h3-12,15-16,37,39,41,43H,13-14H2,1-2H3
InChIKey
LPVFEPQELVJHIS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,5'-Dibenzyl-6,6',7,7'-tetrahydroxy-3,3'-dimethyl-[2,2'-binaphthalene]-1,1',4,4'-tetraone
CAS: 1430067-36-9
CID: 136183446
Formula: C36H26O8
MW: 586.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight586.6
XLogP35.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass586.16276778
Monoisotopic Mass586.16276778
Topological Polar Surface Area149 Ų
Heavy Atom Count44
Formal Charge0
Complexity1310
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

Alternative Products

CatalogName
M11053(-) BI97D6

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