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Home Other Building Blocks 3,3'-DIETHYL-9-METHYLTHIACARBOCYANINE IODIDE

3,3'-DIETHYL-9-METHYLTHIACARBOCYANINE IODIDE

CAS No.:
3065-79-0
Catalog Number:
AG00BCD7
Molecular Formula:
C22H23IN2S2
Molecular Weight:
506.4659
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Product Description
Catalog Number:
AG00BCD7
Chemical Name:
3,3'-DIETHYL-9-METHYLTHIACARBOCYANINE IODIDE
CAS Number:
3065-79-0
Molecular Formula:
C22H23IN2S2
Molecular Weight:
506.4659
MDL Number:
MFCD00011955
IUPAC Name:
(2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-1,3-benzothiazole;iodide
InChI:
InChI=1S/C22H23N2S2.HI/c1-4-23-17-10-6-8-12-19(17)25-21(23)14-16(3)15-22-24(5-2)18-11-7-9-13-20(18)26-22;/h6-15H,4-5H2,1-3H3;1H/q+1;/p-1
InChI Key:
SAEMBGFHGROQJZ-UHFFFAOYSA-M
SMILES:
CC[n+]1c(/C=C(/C=c\2/sc3c(n2CC)cccc3)\C)sc2c1cccc2.[I-]
EC Number:
221-317-2
NSC Number:
96932
Properties
Complexity:
511  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2  
Exact Mass:
506.035g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
506.464g/mol
Monoisotopic Mass:
506.035g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Inhibition of tau polymerization with a cyanine dye in two distinct model systems. The Journal of biological chemistry 20090731
Structure-activity relationship of cyanine tau aggregation inhibitors. Journal of medicinal chemistry 20090611
Apoptosis induced by DNA primase inhibitor 3,3'-diethyl-9-methylthia-carbocyanine iodide in human leukemia HL-60 cells. Yao xue xue bao = Acta pharmaceutica Sinica 20061001
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Inhibition of DNA primase and induction of apoptosis by 3,3'-diethyl-9-methylthia-carbocyanine iodide in hepatocellular carcinoma BEL-7402 cells. World journal of gastroenterology 20040215
Properties