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(E/Z) -BCI

CAT: 1568-C06973-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C06973-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
15982-84-0
Synonyms
BCI, NSC 150117
Target
Phosphatase
Applications
Metabolism
Smiles
C1CCC (CC1) NC2C3=CC=CC=C3C (=O) C2=CC4=CC=CC=C4
Molecular Formula
C22H23NO
Additionnal Information
(E/Z) -BCI (BCI, NSC 150117) is an inhibitor of dual specific phosphatase 1/6 (DUSP1/DUSP6) and mitogen-activated protein kinase with EC50 of 13.3 μM and 8.0 μM for DUSP6 and DUSP1 in cells, respectively. (E) -BCI induces apoptosis via generation of reactive oxygen species (ROS) and activation of intrinsic mitochondrial pathway in H1299 lung cancer cells.
Storage Conditions
3 years -20°C powder

Chemical Information

(E/Z)-Bci
CAS Number15982-84-0
PubChem CID5475586
IUPAC Name(2Z)-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-HKWRFOASSA-N
Chemical Structure
2D Structure
2D structure of (E/Z)-Bci
CAS: 15982-84-0
CID: 5475586
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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