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BCI

CAT: 0931-T10486-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T10486-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1245792-51-1
Target
Phosphatase
Related Pathways
Metabolism
Purity
>99.99%
Bioactivity
BCI ((E) -BCI) is an allosteric inhibitor of dual-specificity phosphatases (DUSP), with EC50 values of 13.3 μM for DUSP6 and 8.0 μM for DUSP1 in cells, and does not inhibit DUSP5.
Smiles
O=C1\C(=C\c2ccccc2)C(NC2CCCCC2)c2ccccc12
Molecular Formula
C22H23NO
Molecular Weight
317.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-benzylidene-3-(cyclohexylamino)-2,3-dihydro-1H-inden-1-one

(2E)-2-benzylidene-3-(cyclohexylamino)indan-1-one is a 2-benzylidene-3-(cyclohexylamino)indan-1-one in which the double bond has E configuration. An inhibitor of the dual specificity phosphatase 6 (Dusp6). It has a role as an EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor and an apoptosis inducer.

CAS Number1245792-51-1
PubChem CID6419844
IUPAC Name(2E)-2-benzylidene-3-(cyclohexylamino)-3H-inden-1-one
Molecular FormulaC22H23NO
Molecular Weight317.4
XLogP4.7
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity470
SMILES
C1CCC(CC1)NC\2C3=CC=CC=C3C(=O)/C2=C/C4=CC=CC=C4
InChI
InChI=1S/C22H23NO/c24-22-19-14-8-7-13-18(19)21(23-17-11-5-2-6-12-17)20(22)15-16-9-3-1-4-10-16/h1,3-4,7-10,13-15,17,21,23H,2,5-6,11-12H2/b20-15+
InChIKey
XJDKPLZUXCIMIS-HMMYKYKNSA-N
Chemical Structure
2D Structure
2D structure of 2-benzylidene-3-(cyclohexylamino)-2,3-dihydro-1H-inden-1-one
CAS: 1245792-51-1
CID: 6419844
Formula: C22H23NO
MW: 317.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight317.4
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass317.177964357
Monoisotopic Mass317.177964357
Topological Polar Surface Area29.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity470
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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