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872726-44-8

872726-44-8 | NSC 721648

CAS No: 872726-44-8 Catalog No: AG004I9B MDL No:

Product Description

Catalog Number:
AG004I9B
Chemical Name:
NSC 721648
CAS Number:
872726-44-8
Molecular Formula:
C15H12FNO2S
Molecular Weight:
289.3247
IUPAC Name:
2-(3,4-dimethoxyphenyl)-5-fluoro-1,3-benzothiazole
InChI:
InChI=1S/C15H12FNO2S/c1-18-12-5-3-9(7-13(12)19-2)15-17-11-8-10(16)4-6-14(11)20-15/h3-8H,1-2H3
InChI Key:
ZRLSVQBGBBYEAZ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)c1nc2c(s1)ccc(c2)F
UNII:
X3XWA9LQ3Q

Properties

Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.057g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.324g/mol
Monoisotopic Mass:
289.057g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

Literature

Title Journal
Synthesis and biological evaluation of novel triazoles and isoxazoles linked 2-phenyl benzothiazole as potential anticancer agents. Bioorganic & medicinal chemistry letters 20120901
Bioactivation of fluorinated 2-aryl-benzothiazole antitumor molecules by human cytochrome P450s 1A1 and 2W1 and deactivation by cytochrome P450 2S1. Chemical research in toxicology 20120820
CYP2S1 and CYP2W1 mediate 2-(3,4-dimethoxyphenyl)-5-fluorobenzothiazole (GW-610, NSC 721648) sensitivity in breast and colorectal cancer cells. Molecular cancer therapeutics 20111001
Variations in Mre11/Rad50/Nbs1 status and DNA damage-induced S-phase arrest in the cell lines of the NCI60 panel. BMC cancer 20110101
Synthesis and antitumour evaluation of novel 2-phenylbenzimidazoles. Journal of enzyme inhibition and medicinal chemistry 20081001
Synthesis and biological properties of benzothiazole, benzoxazole, and chromen-4-one analogues of the potent antitumor agent 2-(3,4-dimethoxyphenyl)-5-fluorobenzothiazole (PMX 610, NSC 721648). Journal of medicinal chemistry 20080828
Structural studies on bioactive compounds. 40.(1) Synthesis and biological properties of fluoro-, methoxyl-, and amino-substituted 3-phenyl-4H-1-benzopyran-4-ones and a comparison of their antitumor activities with the activities of related 2-phenylbenzothiazoles. Journal of medicinal chemistry 20060629
Antitumor benzothiazoles. 26.(1) 2-(3,4-dimethoxyphenyl)-5-fluorobenzothiazole (GW 610, NSC 721648), a simple fluorinated 2-arylbenzothiazole, shows potent and selective inhibitory activity against lung, colon, and breast cancer cell lines. Journal of medicinal chemistry 20060112

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