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(E/Z) -BIX02188

CAT: 0931-T6324-05Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T6324-05Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1094614-84-2
Target
TGF-beta/Smad, ERK, MEK, Others
Related Pathways
MAPK, Others, Stem Cells
Purity
0.9921
Bioactivity
BIX02188 is a specific MEK5 inhibitor (IC50: 4.3 nM), also inhibits ERK5 catalytic activity (IC50: 810 nM), and does not inhibit closely related kinases MEK1/2, JNK2, and ERK2.
Smiles
CN(C)Cc1cccc(NC(=C2C(=O)Nc3cc(ccc23)C(N)=O)c2ccccc2)c1
Molecular Formula
C25H24N4O2
Molecular Weight
412.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(Z)-3-(((3-((dimethylamino)methyl)phenyl)amino)(phenyl)methylene)-2-oxoindoline-6-carboxamide

See also: Bix-02188 (annotation moved to).

CAS Number1094614-84-2
PubChem CID135398492
IUPAC Name3-[N-[3-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indole-6-carboxamide
Molecular FormulaC25H24N4O2
Molecular Weight412.5
XLogP3.9
Topological Polar Surface Area94.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity645
SMILES
CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N)O
InChI
InChI=1S/C25H24N4O2/c1-29(2)15-16-7-6-10-19(13-16)27-23(17-8-4-3-5-9-17)22-20-12-11-18(24(26)30)14-21(20)28-25(22)31/h3-14,28,31H,15H2,1-2H3,(H2,26,30)
InChIKey
WGPXKFOFEXJMBD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (Z)-3-(((3-((dimethylamino)methyl)phenyl)amino)(phenyl)methylene)-2-oxoindoline-6-carboxamide
CAS: 1094614-84-2
CID: 135398492
Formula: C25H24N4O2
MW: 412.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.5
XLogP33.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass412.18992602
Monoisotopic Mass412.18992602
Topological Polar Surface Area94.7 Ų
Heavy Atom Count31
Formal Charge0
Complexity645
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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