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Home Other Building Blocks 1,3-Dihydro-3-(1H-imidazol-5-ylmethylene)-5-methoxy-2H-indol-2-one

1,3-Dihydro-3-(1H-imidazol-5-ylmethylene)-5-methoxy-2H-indol-2-one

CAS No.:
666837-93-0
Catalog Number:
AG0035MF
Molecular Formula:
C13H11N3O2
Molecular Weight:
241.2453
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Product Description
Catalog Number:
AG0035MF
Chemical Name:
1,3-Dihydro-3-(1H-imidazol-5-ylmethylene)-5-methoxy-2H-indol-2-one
CAS Number:
666837-93-0
Molecular Formula:
C13H11N3O2
Molecular Weight:
241.2453
MDL Number:
MFCD17010284
IUPAC Name:
3-(1H-imidazol-5-ylmethylidene)-5-methoxy-1H-indol-2-one
InChI:
InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)
InChI Key:
QNUKRWAIZMBVCU-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)/C(=C/c1c[nH]cn1)/C(=O)N2
Properties
Complexity:
369  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.085g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
241.25g/mol
Monoisotopic Mass:
241.085g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1  
Literature
Title Journal
Novel structural features of CDK inhibition revealed by an ab initio computational method combined with dynamic simulations. Journal of medicinal chemistry 20060824
The three-substituted indolinone cyclin-dependent kinase 2 inhibitor 3-[1-(3H-imidazol-4-yl)-meth-(Z)-ylidene]-5-methoxy-1,3-dihydro-indol-2-one (SU9516) kills human leukemia cells via down-regulation of Mcl-1 through a transcriptional mechanism. Molecular pharmacology 20060801
Novel pyrrolyllactone and pyrrolyllactam indolinones as potent cyclin-dependent kinase 2 inhibitors. Bioorganic & medicinal chemistry letters 20030602
SU9516, a cyclin-dependent kinase 2 inhibitor, promotes accumulation of high molecular weight E2F complexes in human colon carcinoma cells. Biochemical pharmacology 20021001
A novel cdk2-selective inhibitor, SU9516, induces apoptosis in colon carcinoma cells. Cancer research 20010815
Properties